N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | E856-2941 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide |
| Molecular Weight: | 514.97 |
| Molecular Formula: | C28 H23 Cl N4 O4 |
| Smiles: | C1Cn2c(cc(c3cccc(c3)[Cl])n2)N(Cc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.8718 |
| logD: | 4.8718 |
| logSw: | -4.9041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.549 |
| InChI Key: | SQVRXHCXBPCZKQ-UHFFFAOYSA-N |