2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 3-methylbenzoate
Chemical Structure Depiction of
2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 3-methylbenzoate
2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 8005-5982 |
| Compound Name: | 2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 3-methylbenzoate |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C21 H15 N3 O6 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=N/c2cccc(c2)[N+]([O-])=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2114 |
| logD: | 4.2114 |
| logSw: | -4.5897 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.292 |
| InChI Key: | VFNOTQRTOUMYMJ-UHFFFAOYSA-N |