1-(4-fluorophenyl)-4-(2-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
1-(4-fluorophenyl)-4-(2-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
1-(4-fluorophenyl)-4-(2-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: | V021-2905 |
| Compound Name: | 1-(4-fluorophenyl)-4-(2-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: | COc1ccccc1C1c2c(c3ccccc3)nn(c3ccc(cc3)F)c2N(CC(N2CCCC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3884 |
| logD: | 5.3884 |
| logSw: | -5.3613 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.414 |
| InChI Key: | VZUGJLXXKKHIIZ-SSEXGKCCSA-N |