N-[2-(azepan-1-yl)ethyl]-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
N-[2-(azepan-1-yl)ethyl]-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | E856-3224 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide |
| Molecular Weight: | 506.05 |
| Molecular Formula: | C28 H32 Cl N5 O2 |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc(CN2C(CCn3c2cc(c2ccc(cc2)[Cl])n3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6895 |
| logD: | 3.7127 |
| logSw: | -4.8154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.589 |
| InChI Key: | KBVGAXOUHPAUPN-UHFFFAOYSA-N |