4-(2,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-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-methyl-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-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0215 |
| Compound Name: | 4-(2,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C21 H23 N5 O S |
| Smiles: | Cc1ccc(C2c3c(C)nn(c4nc(C)cc(C)n4)c3NC(CS2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9032 |
| logD: | 3.7586 |
| logSw: | -3.812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.533 |
| InChI Key: | ILANCJRICGYDEA-LJQANCHMSA-N |