N-[4-(pyrrolidine-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-[4-(pyrrolidine-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-[4-(pyrrolidine-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-7547 |
| Compound Name: | N-[4-(pyrrolidine-1-sulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C23 H29 N5 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)NC(C12CC3CC(C1)CC(C3)(C2)n1cncn1)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3467 |
| logD: | 3.326 |
| logSw: | -3.8391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.927 |
| InChI Key: | HBXNEUHDIKHABL-UHFFFAOYSA-N |