2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | C803-0088 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acetamide |
| Molecular Weight: | 461.27 |
| Molecular Formula: | C18 H17 Br N6 O4 |
| Smiles: | Cc1c(c(nn1CC(Nc1ccc2c(c1)C(N1CCCCC1=N2)=O)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6319 |
| logD: | 1.6314 |
| logSw: | -2.6995 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.558 |
| InChI Key: | QKFHGIJKHFJBST-UHFFFAOYSA-N |