4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Compound characteristics
| Compound ID: | E856-2981 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide |
| Molecular Weight: | 514.97 |
| Molecular Formula: | C28 H23 Cl N4 O4 |
| Smiles: | C1Cn2c(cc(c3cccc(c3)[Cl])n2)N(Cc2ccc(cc2)C(Nc2ccc3c(c2)OCCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2654 |
| logD: | 4.2637 |
| logSw: | -4.5762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.935 |
| InChI Key: | CTLOWVPOSBRCBA-UHFFFAOYSA-N |