4-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | V027-2695 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-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: | 586.69 |
| Molecular Formula: | C32 H31 F N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)C1c2c(c3ccccc3)nn(c3ccc(cc3)F)c2N(CC(N2CCCC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9622 |
| logD: | 4.9622 |
| logSw: | -4.7153 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.044 |
| InChI Key: | ZVBZXDPDYJDXHR-WJOKGBTCSA-N |