N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F854-0406 |
| Compound Name: | N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | Cc1nnc(C(Nc2cccc(c2)C(NCCCN2CCCCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2723 |
| logD: | -0.2983 |
| logSw: | -2.9451 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.209 |
| InChI Key: | WESQRIZEEQMKNY-UHFFFAOYSA-N |