4-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-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-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-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-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-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: | V007-0089 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-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: | 624.8 |
| Molecular Formula: | C36 H40 N4 O4 S |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccccc3)nn(c3ccc(C)cc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0576 |
| logD: | 7.0576 |
| logSw: | -5.6438 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.291 |
| InChI Key: | HSEYZJXSFKUWOH-PGUFJCEWSA-N |