4-(4-fluorophenyl)-1-(4-methoxyphenyl)-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-(4-fluorophenyl)-1-(4-methoxyphenyl)-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-(4-fluorophenyl)-1-(4-methoxyphenyl)-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: | V020-6129 |
| Compound Name: | 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-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: | 556.66 |
| Molecular Formula: | C31 H29 F N4 O3 S |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3ccc(cc3)F)SCC(N2CC(N2CCCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2942 |
| logD: | 5.2942 |
| logSw: | -5.2163 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.327 |
| InChI Key: | VMYINAWSEYSYQY-SSEXGKCCSA-N |