4-{2-cyano-3-[2-(methoxycarbonyl)anilino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
4-{2-cyano-3-[2-(methoxycarbonyl)anilino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-1-carboxylate
4-{2-cyano-3-[2-(methoxycarbonyl)anilino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9657 |
| Compound Name: | 4-{2-cyano-3-[2-(methoxycarbonyl)anilino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-1-carboxylate |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C29 H20 N2 O5 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1ccc(cc1)OC(c1cccc2ccccc12)=O)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6886 |
| logD: | 4.3007 |
| logSw: | -6.6724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.968 |
| InChI Key: | YTAXLMYQAOXEEP-UHFFFAOYSA-N |