1-(2H-1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)-4-(5-hydroxy-1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)-4-(5-hydroxy-1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrrole-2,5-dione
1-(2H-1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)-4-(5-hydroxy-1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | V011-4610 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)-4-(5-hydroxy-1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C32 H29 N5 O5 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C1=C(C(N(C1=O)c1ccc2c(c1)OCO2)=O)c1c(c2ccccc2)nn(c2ccccc2)c1O |
| Stereo: | ACHIRAL |
| logP: | 3.4322 |
| logD: | 0.2081 |
| logSw: | -3.7237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.674 |
| InChI Key: | BYQZZMPRXAJZSM-UHFFFAOYSA-N |