4-(3-fluorophenyl)-1-(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
4-(3-fluorophenyl)-1-(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
4-(3-fluorophenyl)-1-(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: | V020-7787 |
| Compound Name: | 4-(3-fluorophenyl)-1-(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: | 544.62 |
| Molecular Formula: | C30 H26 F2 N4 O2 S |
| Smiles: | C1CCN(C1)C(CN1C(CSC(c2cccc(c2)F)c2c(c3ccccc3)nn(c3ccc(cc3)F)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3856 |
| logD: | 5.3856 |
| logSw: | -5.6776 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.783 |
| InChI Key: | BTKIBEHAYCOUEK-GDLZYMKVSA-N |