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3-[1-({3'-nitro-[1,1'-biphenyl]-4-yl}oxy)-4-(pyridin-4-yl)butan-2-yl]-1,3-thiazolidine-2,4-dione

3-[1-({3'-nitro-[1,1'-biphenyl]-4-yl}oxy)-4-(pyridin-4-yl)butan-2-yl]-1,3-thiazolidine-2,4-dione

CAS: 227088-94-0

Formula: C24H21N3O5S

SMILES: [O-][N+](=O)C1=CC=CC(=C1)C1=CC=C(OCC(CCC2=CC=NC=C2)N2C(=O)CSC2=O)C=C1

IUPAC: 3-[1-({3'-nitro-[1,1'-biphenyl]-4-yl}oxy)-4-(pyridin-4-yl)butan-2-yl]-1,3-thiazolidine-2,4-dione

InChI: InChI=1/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,21H,4,7,15-16H2

Composition: C (62.19%), H (4.57%), N (9.07%), O (17.26%), S (6.92%)

Molar Mass: 463.51

Atom Count: 54

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 463.120191962
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey VQEHBLGYANQWEA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 123.93
Topological Polar Surface Area 102.64
Polarizability 49.06
Ring Count 4
Rotatable Bond Count 9

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