4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9612 |
| Compound Name: | 4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate |
| Molecular Weight: | 523.5 |
| Molecular Formula: | C29 H21 N3 O7 |
| Smiles: | COc1cc(ccc1NC(C(=C\c1ccc(c(c1)OC)OC(c1cccc2ccccc12)=O)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.741 |
| logD: | 3.8938 |
| logSw: | -6.7043 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.523 |
| InChI Key: | KXWXUSMOKBPSGL-UHFFFAOYSA-N |