4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0442 |
| Compound Name: | 4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | Cc1c2C(c3cc(c(c(c3)OC)O)OC)SCC(Nc2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5617 |
| logD: | 2.5541 |
| logSw: | -2.9081 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.706 |
| InChI Key: | YRKXEWKQDBGLKM-OAQYLSRUSA-N |