4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V026-4659 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 610.78 |
| Molecular Formula: | C35 H38 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2ccc(c(c2)OC)OC)c2c(c3ccccc3)nn(c3cccc(C)c3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9759 |
| logD: | 5.9759 |
| logSw: | -5.5258 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.678 |
| InChI Key: | NSMHTAPSYCBRTH-UUWRZZSWSA-N |