N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide
Chemical Structure Depiction of
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide
Compound characteristics
| Compound ID: | V024-8769 |
| Compound Name: | N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-(3-phenylprop-2-enoyl)-beta-alaninamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C29 H28 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)N(CCC(Nc1nnc(c2ccc(C)cc2)s1)=O)C(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3199 |
| logD: | 6.3196 |
| logSw: | -5.5815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.416 |
| InChI Key: | GENQUYYSVWCNSG-QFIPXVFZSA-N |