N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(diphenylacetyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(diphenylacetyl)-beta-alaninamide
N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(diphenylacetyl)-beta-alaninamide
Compound characteristics
| Compound ID: | V024-8904 |
| Compound Name: | N~3~-(butan-2-yl)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(diphenylacetyl)-beta-alaninamide |
| Molecular Weight: | 533.09 |
| Molecular Formula: | C29 H29 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2cccc(c2)[Cl])s1)=O)C(C(c1ccccc1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9196 |
| logD: | 6.9193 |
| logSw: | -6.3171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.907 |
| InChI Key: | PJOPEKZRNJWJGN-FQEVSTJZSA-N |