N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[3-(4-nitrophenyl)prop-2-enoyl]-N~3~-(1-phenylethyl)-beta-alaninamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[3-(4-nitrophenyl)prop-2-enoyl]-N~3~-(1-phenylethyl)-beta-alaninamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[3-(4-nitrophenyl)prop-2-enoyl]-N~3~-(1-phenylethyl)-beta-alaninamide
Compound characteristics
| Compound ID: | V026-1786 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[3-(4-nitrophenyl)prop-2-enoyl]-N~3~-(1-phenylethyl)-beta-alaninamide |
| Molecular Weight: | 562.05 |
| Molecular Formula: | C28 H24 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4126 |
| logD: | 6.4123 |
| logSw: | -6.4184 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.797 |
| InChI Key: | HXOZBLCYBIBXKE-IBGZPJMESA-N |