methyl 3-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | P221-0806 |
| Compound Name: | methyl 3-{[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | COC(c1c(ccs1)NC(N1CCCn2c(C1)cc(c1ccncc1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1944 |
| logD: | 2.1924 |
| logSw: | -2.7661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.16 |
| InChI Key: | LTUZPFGJQJPXLD-UHFFFAOYSA-N |