[4-({5-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitrophenyl](pyridin-2-yl)methanone
Chemical Structure Depiction of
[4-({5-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitrophenyl](pyridin-2-yl)methanone
[4-({5-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitrophenyl](pyridin-2-yl)methanone
Compound characteristics
| Compound ID: | 8017-4278 |
| Compound Name: | [4-({5-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitrophenyl](pyridin-2-yl)methanone |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C28 H21 N5 O3 S2 |
| Smiles: | C(c1ccccc1)SCc1nnc(n1c1ccccc1)Sc1ccc(cc1[N+]([O-])=O)C(c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0286 |
| logD: | 6.0286 |
| logSw: | -6.0328 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.284 |
| InChI Key: | NYXRZULHHWPEJF-UHFFFAOYSA-N |