ethyl (1-{[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
Chemical Structure Depiction of
ethyl (1-{[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
ethyl (1-{[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
Compound characteristics
| Compound ID: | P221-0924 |
| Compound Name: | ethyl (1-{[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | CCOC(CC1(CCCCC1)NC(N1CCCn2c(C1)cc(c1cccnc1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3922 |
| logD: | 2.2912 |
| logSw: | -2.6825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.279 |
| InChI Key: | NMDRQNPBKLIDBW-UHFFFAOYSA-N |