3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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: | V007-1391 |
| Compound Name: | 3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 579.21 |
| Molecular Formula: | C32 H39 Cl N4 O2 S |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cccc(c2)[Cl])c2c(C(C)(C)C)nn(c3cccc(C)c3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.31 |
| logD: | 7.31 |
| logSw: | -6.3045 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.388 |
| InChI Key: | ZIDUAUVHSGSOBS-GDLZYMKVSA-N |