N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | V025-1695 |
| Compound Name: | N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C25 H28 N4 O2 S2 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)N(CCC(Nc1nnc(c2ccccc2)s1)=O)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4256 |
| logD: | 5.4253 |
| logSw: | -5.5727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.296 |
| InChI Key: | VMRCERXPSKFQBN-UHFFFAOYSA-N |