4-(2,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0092 |
| Compound Name: | 4-(2,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C26 H25 N5 O S |
| Smiles: | Cc1ccc(C2c3c(c4ccccc4)nn(c4nc(C)cc(C)n4)c3NC(CS2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3497 |
| logD: | 5.3488 |
| logSw: | -5.2693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.455 |
| InChI Key: | RVSGYCTVIOWIDX-XMMPIXPASA-N |