2-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]quinazolin-4(3H)-one
2-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-0251 |
| Compound Name: | 2-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 285.26 |
| Molecular Formula: | C13 H11 N5 O3 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6314 |
| logD: | 0.6282 |
| logSw: | -2.3984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.622 |
| InChI Key: | KMLUEKKVLQVCJU-UHFFFAOYSA-N |