1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V007-9067 |
| Compound Name: | 1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 554.69 |
| Molecular Formula: | C32 H31 F N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccc(cc3)F)SCC(N2CC(N2CCCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4118 |
| logD: | 6.4118 |
| logSw: | -5.5973 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.482 |
| InChI Key: | CKJOKUPTEBVUHS-WJOKGBTCSA-N |