5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0954 |
| Compound Name: | 5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C20 H27 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(SCC(NCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0942 |
| logD: | 1.801 |
| logSw: | -3.3007 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.55 |
| InChI Key: | UZQXRVFNJMRLEJ-UHFFFAOYSA-N |