2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | T201-0045 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc2CN(CCCn2n1)C(Nc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8489 |
| logD: | 3.8489 |
| logSw: | -4.0745 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.499 |
| InChI Key: | UEHGPHXEUHERLI-UHFFFAOYSA-N |