methyl 4-[(naphthalen-1-yl)amino]-3,5-dinitrobenzoate
Chemical Structure Depiction of
methyl 4-[(naphthalen-1-yl)amino]-3,5-dinitrobenzoate
methyl 4-[(naphthalen-1-yl)amino]-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 1269-3518 |
| Compound Name: | methyl 4-[(naphthalen-1-yl)amino]-3,5-dinitrobenzoate |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C18 H13 N3 O6 |
| Smiles: | COC(c1cc(c(c(c1)[N+]([O-])=O)Nc1cccc2ccccc12)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2298 |
| logD: | 4.2298 |
| logSw: | -4.5471 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.121 |
| InChI Key: | QJIRSYIBDJWARC-UHFFFAOYSA-N |