6-(3-tert-butyl-1-methyl-4-nitro-1H-pyrazol-5-yl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
Chemical Structure Depiction of
6-(3-tert-butyl-1-methyl-4-nitro-1H-pyrazol-5-yl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
6-(3-tert-butyl-1-methyl-4-nitro-1H-pyrazol-5-yl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
Compound characteristics
| Compound ID: | D359-0428 |
| Compound Name: | 6-(3-tert-butyl-1-methyl-4-nitro-1H-pyrazol-5-yl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione |
| Molecular Weight: | 463.5 |
| Molecular Formula: | C23 H25 N7 O4 |
| Smiles: | CC(C)(C)c1c(c(C2c3c4c(cn3c3ccccc3N2)C(N(C)C(N4C)=O)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7553 |
| logD: | 3.7553 |
| logSw: | -4.0368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.43 |
| InChI Key: | IKIPEIXCXCRNAW-OAHLLOKOSA-N |