methyl 2-[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzoate
methyl 2-[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzoate
Compound characteristics
| Compound ID: | P221-1380 |
| Compound Name: | methyl 2-[2-(pyridin-3-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-sulfonyl]benzoate |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | COC(c1ccccc1S(N1CCCn2c(C1)cc(c1cccnc1)n2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8328 |
| logD: | 1.7319 |
| logSw: | -2.4638 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.171 |
| InChI Key: | DQQDFJFSXNCFGM-UHFFFAOYSA-N |