2-{1-[3-(3-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-{1-[3-(3-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-{1-[3-(3-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P222-0431 |
| Compound Name: | 2-{1-[3-(3-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-5-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 426.95 |
| Molecular Formula: | C23 H27 Cl N4 O2 |
| Smiles: | CCN1CCCn2c(cc(C3CCN(CC3)C(/C=C/c3cccc(c3)[Cl])=O)n2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.3374 |
| logD: | 3.3374 |
| logSw: | -3.5554 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.227 |
| InChI Key: | FVVWKBCMCXJNDY-UHFFFAOYSA-N |