5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0854 |
| Compound Name: | 5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CCC(NCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1161 |
| logD: | 0.4173 |
| logSw: | -2.8893 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.228 |
| InChI Key: | MIMGDAKLFYYBBE-UHFFFAOYSA-N |