N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-1025 |
| Compound Name: | N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 424.97 |
| Molecular Formula: | C18 H21 Cl N4 O2 S2 |
| Smiles: | C1CCCC(CC1)NC(CSc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6185 |
| logD: | 4.6176 |
| logSw: | -4.6073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.451 |
| InChI Key: | OBMWNVBHEQHHQZ-UHFFFAOYSA-N |