4-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine
4-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine
Compound characteristics
| Compound ID: | D068-0122 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C25 H21 N3 O2 S |
| Smiles: | C1CSC(c2ccc3c(c2)OCO3)c2c(c3ccccc3)nn(c3ccccc3)c2N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3914 |
| logD: | 5.3914 |
| logSw: | -5.9014 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.118 |
| InChI Key: | MZJZYXMBSAMFKU-XMMPIXPASA-N |