3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-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-chlorophenyl)-4-(3-fluorophenyl)-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-chlorophenyl)-4-(3-fluorophenyl)-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: | V015-4190 |
| Compound Name: | 3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 569.14 |
| Molecular Formula: | C30 H34 Cl F N4 O2 S |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cccc(c2)F)c2c(C(C)(C)C)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3147 |
| logD: | 6.3147 |
| logSw: | -6.0907 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.388 |
| InChI Key: | PSQLDQGZCBNEPA-HHHXNRCGSA-N |