methyl 3-{[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | P218-1803 |
| Compound Name: | methyl 3-{[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | COC(c1c(ccs1)NC(N1CCCn2c(C1)cc(c1ccc(cc1)OC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4258 |
| logD: | 3.4247 |
| logSw: | -3.7946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.276 |
| InChI Key: | FVVCHJOUEQUQBS-UHFFFAOYSA-N |