5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-1342 |
| Compound Name: | 5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C21 H29 N5 O2 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CCC(NCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5571 |
| logD: | 0.8584 |
| logSw: | -2.9707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.684 |
| InChI Key: | GPPQSXMAVBEKJL-UHFFFAOYSA-N |