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N-[(4-fluorophenyl)methyl]-2-[(1R)-5-[(methylcarbamoyl)amino]-3',5'-dioxo-2,3-dihydrospiro[indene-1,2'-[1,4]oxazolidin]-4'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(1R)-5-[(methylcarbamoyl)amino]-3',5'-dioxo-2,3-dihydrospiro[indene-1,2'-[1,4]oxazolidin]-4'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

CAS: 1889279-16-6

Formula: C25H24F4N4O5

SMILES: CNC(=O)NC1=CC=C2C(CC[C@@]22OC(=O)N(CC(=O)N(CC3=CC=C(F)C=C3)[C@@H](C)C(F)(F)F)C2=O)=C1

IUPAC: N-[(4-fluorophenyl)methyl]-2-[(1R)-5-[(methylcarbamoyl)amino]-3',5'-dioxo-2,3-dihydrospiro[indene-1,2'-[1,4]oxazolidin]-4'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

InChI: InChI=1S/C25H24F4N4O5/c1-14(25(27,28)29)32(12-15-3-5-17(26)6-4-15)20(34)13-33-21(35)24(38-23(33)37)10-9-16-11-18(7-8-19(16)24)31-22(36)30-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,30,31,36)/t14-,24+/m0/s1

Composition: C (55.97%), H (4.51%), F (14.17%), N (10.44%), O (14.91%)

Molar Mass: 536.484

Atom Count: 62

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 536.168282541
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VRVJKILQRBSEAG-LFPIHBKWSA-N
Lipinski's Rule of Five
Molar Refractivity 127.06
Topological Polar Surface Area 108.05
Polarizability 47.12
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1889279-16-6 $117.27-$194.19$117.27$194.19
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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1889279-16-6 $136.83-$584.77$136.83$244.61$340.16$584.77
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