4-[4-(dimethylamino)phenyl]-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-[4-(dimethylamino)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(dimethylamino)phenyl]-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: | D302-0212 |
| Compound Name: | 4-[4-(dimethylamino)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C21 H24 N6 O S |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(c3ccc(cc3)N(C)C)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.969 |
| logD: | 2.8244 |
| logSw: | -3.2235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.338 |
| InChI Key: | VZESTPBMDHZGFQ-LJQANCHMSA-N |