N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | V022-6680 |
| Compound Name: | N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-cyclohexyl-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide |
| Molecular Weight: | 515.1 |
| Molecular Formula: | C25 H27 Cl N4 O2 S2 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)N(CCC(Nc1nnc(c2cccc(c2)[Cl])s1)=O)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1743 |
| logD: | 6.174 |
| logSw: | -6.1664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.296 |
| InChI Key: | KUUWWIJYRLFGME-UHFFFAOYSA-N |