5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0613 |
| Compound Name: | 5-{[2-(cycloheptylamino)-2-oxoethyl]sulfanyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C18 H21 F N4 O2 S2 |
| Smiles: | C1CCCC(CC1)NC(CSc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.894 |
| logD: | 3.8932 |
| logSw: | -3.9706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.451 |
| InChI Key: | DZFLLGBSAKHNRC-UHFFFAOYSA-N |