4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | E856-3015 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide |
| Molecular Weight: | 507.04 |
| Molecular Formula: | C27 H31 Cl N6 O2 |
| Smiles: | CN1CCN(CCNC(c2ccc(CN3C(CCn4c3cc(c3cccc(c3)[Cl])n4)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9443 |
| logD: | 2.2768 |
| logSw: | -3.7389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.735 |
| InChI Key: | VQHBTXQWQVFNCP-UHFFFAOYSA-N |