2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitroanilino)prop-2-enal
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitroanilino)prop-2-enal
2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitroanilino)prop-2-enal
Compound characteristics
| Compound ID: | Y508-1324 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitroanilino)prop-2-enal |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | Cc1cc(c(cc1C)[N+]([O-])=O)N/C=C(\C=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4482 |
| logD: | 4.4318 |
| logSw: | -4.4424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.192 |
| InChI Key: | GBHRZZFHXNBWKC-UHFFFAOYSA-N |