4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Chemical Structure Depiction of
4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Compound characteristics
| Compound ID: | 7509-0049 |
| Compound Name: | 4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C23 H20 N6 O4 |
| Smiles: | COc1cc(ccc1OCc1ccc(cc1)[N+]([O-])=O)C1NC(N)=Nc2nc3ccccc3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5115 |
| logD: | 1.3551 |
| logSw: | -3.8752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.625 |
| InChI Key: | CKDBEBGMZGCAQR-NRFANRHFSA-N |