N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | P221-0789 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | C1CN(Cc2cc(c3ccncc3)nn2C1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3525 |
| logD: | 1.3516 |
| logSw: | -1.702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.489 |
| InChI Key: | JBRKGMKTRROEHJ-UHFFFAOYSA-N |