ethyl 4-({[2-(thiophen-2-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-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
ethyl 4-({[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | P221-1038 |
| Compound Name: | ethyl 4-({[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C22 H30 N4 O3 S |
| Smiles: | CCOC(C1CCC(CC1)CNC(N1CCCn2c(C1)cc(c1cccs1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7188 |
| logD: | 3.7188 |
| logSw: | -3.8527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.524 |
| InChI Key: | ZWHCEMAAIMADGJ-UHFFFAOYSA-N |