N-{1-[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-2-chloropropanamide

Chemical Structure Depiction of
N-{1-[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-2-chloropropanamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: V015-1528
Compound Name: N-{1-[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-2-chloropropanamide
Molecular Weight: 522.02
Molecular Formula: C26 H24 Cl N5 O3 S
Salt: not_available
Smiles: CC(C(NC(Cc1ccccc1)c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccccc1)=O)[Cl]
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.9486
logD: 4.9485
logSw: -4.6072
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 82.409
InChI Key: GGQGOUBKDBWQME-UHFFFAOYSA-N
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