N~3~-(butan-2-yl)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(butan-2-yl)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide
N~3~-(butan-2-yl)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide
Compound characteristics
| Compound ID: | V026-6056 |
| Compound Name: | N~3~-(butan-2-yl)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide |
| Molecular Weight: | 469 |
| Molecular Formula: | C24 H25 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7594 |
| logD: | 5.7588 |
| logSw: | -6.0682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.651 |
| InChI Key: | YGXGTSSOHWQSOP-KRWDZBQOSA-N |