2-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
2-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
2-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | Y505-4813 |
| Compound Name: | 2-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate |
| Molecular Weight: | 487.34 |
| Molecular Formula: | C27 H16 Cl2 N2 O3 |
| Smiles: | C(=C(/C#N)C(Nc1cc(cc(c1)[Cl])[Cl])=O)/c1ccccc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2059 |
| logD: | 6.2392 |
| logSw: | -6.9041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.579 |
| InChI Key: | FABMLIDLVNKUER-UHFFFAOYSA-N |