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