N~3~-(butan-2-yl)-N~3~-[(4-chlorophenoxy)acetyl]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(butan-2-yl)-N~3~-[(4-chlorophenoxy)acetyl]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
N~3~-(butan-2-yl)-N~3~-[(4-chlorophenoxy)acetyl]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | V015-9348 |
| Compound Name: | N~3~-(butan-2-yl)-N~3~-[(4-chlorophenoxy)acetyl]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide |
| Molecular Weight: | 507.44 |
| Molecular Formula: | C23 H24 Cl2 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2cccc(c2)[Cl])s1)=O)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7246 |
| logD: | 5.7242 |
| logSw: | -5.8598 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.151 |
| InChI Key: | BZNRZHBYNWWEGP-HNNXBMFYSA-N |