N-[4-(azepane-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[4-(azepane-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[4-(azepane-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D513-0280 |
| Compound Name: | N-[4-(azepane-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C17 H21 N5 O2 S |
| Smiles: | C1CCCN(CC1)C(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1471 |
| logD: | 0.7926 |
| logSw: | -2.1802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.521 |
| InChI Key: | QIFWIGHYMUKFBO-UHFFFAOYSA-N |