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2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide

2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide

CAS: 1448346-63-1

Formula: C28H22ClF3N6O3

SMILES: FC1=CN=CC(=C1)N(C(C(=O)NC1CC(F)(F)C1)C1=CC=CC=C1Cl)C(=O)[C@@H]1CCC(=O)N1C1=NC=CC(=C1)C#N

IUPAC: 2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide

InChI: InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25?/m0/s1

Composition: C (57.69%), H (3.80%), Cl (6.08%), F (9.78%), N (14.42%), O (8.23%)

Molar Mass: 582.97

Atom Count: 63

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 582.1394008
Formal Charge 0
FSP3 0.29
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey WIJZXSAJMHAVGX-XADRRFQNSA-N
Lipinski's Rule of Five
Molar Refractivity 139.33
Topological Polar Surface Area 119.29
Polarizability 53.17
Ring Count 5
Rotatable Bond Count 7

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 1448346-63-1 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1448346-63-1 $49.69-$473.16$49.69$71.85$107.78$214.03$314.93$473.16
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