1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-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-(4-ethoxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0190 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1c2c(C)nn(c3nc(C)cc(C)n3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.875 |
| logD: | 2.7304 |
| logSw: | -3.2703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.374 |
| InChI Key: | CPTWACCQYJEBJY-HXUWFJFHSA-N |