4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methoxyphenyl)methyl]benzamide
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | E856-2974 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C28 H25 Cl N4 O3 |
| Smiles: | COc1cccc(CNC(c2ccc(CN3C(CCn4c3cc(c3cccc(c3)[Cl])n4)=O)cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.056 |
| logD: | 5.056 |
| logSw: | -5.2347 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.978 |
| InChI Key: | WHSGYQOCEGMMIZ-UHFFFAOYSA-N |