2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9611 |
| Compound Name: | 2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate |
| Molecular Weight: | 493.48 |
| Molecular Formula: | C28 H19 N3 O6 |
| Smiles: | COc1cc(ccc1NC(C(=C\c1ccccc1OC(c1cccc2ccccc12)=O)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6891 |
| logD: | 4.1398 |
| logSw: | -6.6961 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.893 |
| InChI Key: | JPJPSBLWMKUSSR-UHFFFAOYSA-N |