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methyl N-{2-[(R)-(3-chlorophenyl)[(3R)-1-{[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl}piperidin-3-yl]methoxy]ethyl}carbamate

methyl N-{2-[(R)-(3-chlorophenyl)[(3R)-1-{[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl}piperidin-3-yl]methoxy]ethyl}carbamate

CAS: 942142-51-0

Formula: C26H41ClN4O5

SMILES: CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)C1=CC=CC(Cl)=C1)C[C@H]1CCCOC1

IUPAC: methyl N-{2-[(R)-(3-chlorophenyl)[(3R)-1-{[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl}piperidin-3-yl]methoxy]ethyl}carbamate

InChI: InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1

Composition: C (59.47%), H (7.87%), Cl (6.75%), N (10.67%), O (15.23%)

Molar Mass: 525.09

Atom Count: 77

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 524.2765481
Formal Charge 0
FSP3 0.69
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey NXWASIVXQMMPLM-ZXMXYHOLSA-N
Lipinski's Rule of Five
Molar Refractivity 139.42
Topological Polar Surface Area 101.16
Polarizability 54.77
Ring Count 3
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 942142-51-0 $365.70-$1,056.85$365.70$523.25$944.15$1,056.85
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