4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V018-0863 |
| Compound Name: | 4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 574.74 |
| Molecular Formula: | C31 H31 F N4 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2ccc(cc2)F)c2c(c3cccs3)nn(c3ccccc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3002 |
| logD: | 6.3002 |
| logSw: | -5.5324 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.135 |
| InChI Key: | ZHXSKIOBRIUHSC-SSEXGKCCSA-N |