4-(2,5-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-(2,5-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-(2,5-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: | V002-4933 |
| Compound Name: | 4-(2,5-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 |
| Smiles: | COc1ccc(c(c1)C1c2c(c3ccccc3)nn(c3ccc(cc3)F)c2N(CC(N2CCCC2)=O)C(CS1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4374 |
| logD: | 5.4374 |
| logSw: | -5.3304 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.957 |
| InChI Key: | HTJUTDVOUDVIHT-WJOKGBTCSA-N |