1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0091 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C25 H23 N5 O S |
| Smiles: | Cc1ccccc1C1c2c(c3ccccc3)nn(c3nc(C)cc(C)n3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7014 |
| logD: | 4.7006 |
| logSw: | -4.414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.455 |
| InChI Key: | XOPDOJLDBCDXFS-HSZRJFAPSA-N |