3-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
3-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
3-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9412 |
| Compound Name: | 3-[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)/c1cccc(c1)OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.185 |
| logD: | 5.9385 |
| logSw: | -6.8967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.492 |
| InChI Key: | TXQMJSPVMQHMHO-UHFFFAOYSA-N |