5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L083-0096 |
| Compound Name: | 5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | C1CCCN(CC1)C(c1ccc(cc1)OCc1nnc(C(Nc2ccc(cc2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2823 |
| logD: | 4.2796 |
| logSw: | -4.6084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.536 |
| InChI Key: | QJVXYRZXIDLGTR-UHFFFAOYSA-N |