1-(2-chlorophenyl)-4-(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
1-(2-chlorophenyl)-4-(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
1-(2-chlorophenyl)-4-(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: | V027-4517 |
| Compound Name: | 1-(2-chlorophenyl)-4-(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: | 561.08 |
| Molecular Formula: | C30 H26 Cl F N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(CN1C(CSC(c2ccc(cc2)F)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7283 |
| logD: | 5.7283 |
| logSw: | -5.9387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.482 |
| InChI Key: | VRXHMCQABYXJGG-GDLZYMKVSA-N |