5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0550 |
| Compound Name: | 5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 454.01 |
| Molecular Formula: | C19 H24 Cl N5 O2 S2 |
| Smiles: | C1CCCN(CC1)CCNC(CSc1nnc(C(Nc2ccc(cc2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2655 |
| logD: | 1.9723 |
| logSw: | -3.8041 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.55 |
| InChI Key: | SWEMXKWSAPKGNY-UHFFFAOYSA-N |