N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | V025-1738 |
| Compound Name: | N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide |
| Molecular Weight: | 489.06 |
| Molecular Formula: | C23 H25 Cl N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2cccc(c2)[Cl])s1)=O)C(CSc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6623 |
| logD: | 5.662 |
| logSw: | -5.7798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.651 |
| InChI Key: | CXQVEJWJCNKIOF-INIZCTEOSA-N |