N-[4-(azepane-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y501-7448 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C25 H33 N5 O3 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC(C12CC3CC(C1)CC(C3)(C2)n1cncn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1731 |
| logD: | 4.1524 |
| logSw: | -4.2692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.892 |
| InChI Key: | JMFPGDXWQQMVIR-UHFFFAOYSA-N |