N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y509-3428 |
| Compound Name: | N-{2-[(4-chlorophenyl)sulfanyl]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 499.46 |
| Molecular Formula: | C25 H24 Cl2 N4 O S |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(Nc1ccccc1Sc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.821 |
| logD: | 6.821 |
| logSw: | -6.5131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.725 |
| InChI Key: | RMSJCCSNICVIFD-UHFFFAOYSA-N |