4-(3-fluorophenyl)-1-(3-methylphenyl)-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-(3-methylphenyl)-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-(3-methylphenyl)-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: | V021-2981 |
| Compound Name: | 4-(3-fluorophenyl)-1-(3-methylphenyl)-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: | 540.66 |
| Molecular Formula: | C31 H29 F N4 O2 S |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3cccc(c3)F)SCC(N2CC(N2CCCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.85 |
| logD: | 5.85 |
| logSw: | -5.4781 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.783 |
| InChI Key: | FWKJKZKKTZEXCI-SSEXGKCCSA-N |