4-(3-ethoxy-4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-ethoxy-4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-ethoxy-4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0386 |
| Compound Name: | 4-(3-ethoxy-4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1c2c(C)nn(c3ccc(cc3)OC)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3356 |
| logD: | 3.3337 |
| logSw: | -3.2859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.724 |
| InChI Key: | KHDSLSWVBBNYNL-OAQYLSRUSA-N |