1-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-(thiophen-2-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-(thiophen-2-yl)prop-2-en-1-one
1-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-(thiophen-2-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | P218-0398 |
| Compound Name: | 1-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-(thiophen-2-yl)prop-2-en-1-one |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | Cc1cccc(c1)c1cc2CN(CCCn2n1)C(/C=C/c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6669 |
| logD: | 3.6669 |
| logSw: | -3.8593 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.908 |
| InChI Key: | SGXPRFHZIMTNEN-UHFFFAOYSA-N |