methyl [6-bromo-2-(3-nitrophenyl)-4-phenyl-1,4-dihydroquinazolin-3(2H)-yl]acetate
Chemical Structure Depiction of
methyl [6-bromo-2-(3-nitrophenyl)-4-phenyl-1,4-dihydroquinazolin-3(2H)-yl]acetate
methyl [6-bromo-2-(3-nitrophenyl)-4-phenyl-1,4-dihydroquinazolin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | 6339-0075 |
| Compound Name: | methyl [6-bromo-2-(3-nitrophenyl)-4-phenyl-1,4-dihydroquinazolin-3(2H)-yl]acetate |
| Molecular Weight: | 482.33 |
| Molecular Formula: | C23 H20 Br N3 O4 |
| Smiles: | COC(CN1C(c2ccccc2)c2cc(ccc2NC1c1cccc(c1)[N+]([O-])=O)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5103 |
| logD: | 5.5098 |
| logSw: | -5.4437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.101 |
| InChI Key: | DMMHNRQEFOHLAQ-UHFFFAOYSA-N |