5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L083-0819 |
| Compound Name: | 5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | Cc1ccccc1NC(c1nnc(COc2ccc(cc2)C(N2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6806 |
| logD: | 3.6805 |
| logSw: | -3.7237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.838 |
| InChI Key: | PJEXLMFZMQUVHJ-UHFFFAOYSA-N |