5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0951 |
| Compound Name: | 5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C21 H29 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(SCC(NCCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2174 |
| logD: | 0.5888 |
| logSw: | -3.3695 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.55 |
| InChI Key: | JWMXGDGNVWIUOO-UHFFFAOYSA-N |