1-(2-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0434 |
| Compound Name: | 1-(2-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C22 H22 Cl N3 O4 S |
| Smiles: | Cc1c2C(c3cc(c(c(c3)OC)OC)OC)SCC(Nc2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8376 |
| logD: | 3.8371 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.099 |
| InChI Key: | ZCDCBQLYIFFBSI-OAQYLSRUSA-N |