4-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
4-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | 8018-0861 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one |
| Molecular Weight: | 379.33 |
| Molecular Formula: | C19 H13 N3 O6 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)c2c(c3cccc(c3)[N+]([O-])=O)n[nH]c2OC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3278 |
| logD: | 3.3278 |
| logSw: | -3.7034 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.05 |
| InChI Key: | FVBNDBKJJGHDGU-CYBMUJFWSA-N |