1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-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
1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-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: | V005-0108 |
| Compound Name: | 1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-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: | 582.74 |
| Molecular Formula: | C34 H35 F N4 O2 S |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2ccccc2F)c2c(c3ccccc3)nn(c3ccc(C)cc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0131 |
| logD: | 7.0131 |
| logSw: | -5.6278 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.116 |
| InChI Key: | XKSYTWLQOXYRKV-MGBGTMOVSA-N |