5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0937 |
| Compound Name: | 5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C22 H31 N5 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3392 |
| logD: | 0.6404 |
| logSw: | -2.7244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.986 |
| InChI Key: | NJQXWVHNVSSMLW-UHFFFAOYSA-N |