4-(4-butoxyphenyl)-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-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-butoxyphenyl)-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: | D302-0177 |
| Compound Name: | 4-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C23 H27 N5 O2 S |
| Smiles: | CCCCOc1ccc(cc1)C1c2c(C)nn(c3nc(C)cc(C)n3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3113 |
| logD: | 4.1667 |
| logSw: | -4.134 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.951 |
| InChI Key: | RDYCAKWQGBHDGP-OAQYLSRUSA-N |