1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2,4,6-trimethylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2,4,6-trimethylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2,4,6-trimethylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0216 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2,4,6-trimethylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 407.54 |
| Molecular Formula: | C22 H25 N5 O S |
| Smiles: | Cc1cc(C)c(C2c3c(C)nn(c4nc(C)cc(C)n4)c3NC(CS2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2679 |
| logD: | 4.1234 |
| logSw: | -4.1087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.533 |
| InChI Key: | FXHQFIAGLMUHGO-HXUWFJFHSA-N |