N-cyclohexyl-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzamide
Chemical Structure Depiction of
N-cyclohexyl-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzamide
N-cyclohexyl-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 8018-0341 |
| Compound Name: | N-cyclohexyl-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | Cc1nnc(n1c1ccccc1)Sc1ccc(cc1C(NC1CCCCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3435 |
| logD: | 4.3435 |
| logSw: | -4.3618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.281 |
| InChI Key: | VBJSHJIEWCCCLY-UHFFFAOYSA-N |