ethyl 4-({[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
ethyl 4-({[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | P221-0795 |
| Compound Name: | ethyl 4-({[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | CCOC(C1CCC(CC1)CNC(N1CCCn2c(C1)cc(c1ccncc1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8058 |
| logD: | 2.8049 |
| logSw: | -3.0248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.934 |
| InChI Key: | ROUOWOIPURQGRC-UHFFFAOYSA-N |