methyl 4-chloro-2-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 4-chloro-2-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P221-0772 |
| Compound Name: | methyl 4-chloro-2-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | COC(c1ccc(cc1NC(N1CCCn2c(C1)cc(c1ccncc1)n2)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9953 |
| logD: | 2.957 |
| logSw: | -3.5971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.142 |
| InChI Key: | PULWPOOMHSDJLF-UHFFFAOYSA-N |