N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | V012-0205 |
| Compound Name: | N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C17 H18 N4 O S2 |
| Smiles: | C1CCC(CC1)C(Nc1nnc(SCc2ccc(C#N)cc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0486 |
| logD: | 4.0422 |
| logSw: | -4.0816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.212 |
| InChI Key: | JAFCMNXGZWWQIK-UHFFFAOYSA-N |