3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V015-7468 |
| Compound Name: | 3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 574.79 |
| Molecular Formula: | C33 H42 N4 O3 S |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2ccccc2OC)c2c(C(C)(C)C)nn(c3ccc(C)cc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.001 |
| logD: | 7.001 |
| logSw: | -5.5706 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.018 |
| InChI Key: | YOSAROJVUBTLSF-SSEXGKCCSA-N |