N-(adamantan-1-yl)-2-{[5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitrobenzamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-2-{[5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitrobenzamide
N-(adamantan-1-yl)-2-{[5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitrobenzamide
Compound characteristics
| Compound ID: | 8018-3659 |
| Compound Name: | N-(adamantan-1-yl)-2-{[5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitrobenzamide |
| Molecular Weight: | 600.14 |
| Molecular Formula: | C32 H30 Cl N5 O3 S |
| Smiles: | Cc1ccc(c(c1)[Cl])c1nnc(n1c1ccccc1)Sc1ccc(cc1C(NC12CC3CC(CC(C3)C2)C1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.6983 |
| logD: | 7.6983 |
| logSw: | -6.4384 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.203 |
| InChI Key: | FEHGEDNDTZIJJP-UHFFFAOYSA-N |