4-(2-chlorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2-chlorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2-chlorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V019-6551 |
| Compound Name: | 4-(2-chlorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 577.08 |
| Molecular Formula: | C30 H26 Cl F N4 O3 S |
| Smiles: | C1COCCN1C(CN1C(CSC(c2ccccc2[Cl])c2c(c3ccccc3)nn(c3ccc(cc3)F)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8945 |
| logD: | 4.8945 |
| logSw: | -4.9907 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.326 |
| InChI Key: | WCQAZGPAAGDEDL-GDLZYMKVSA-N |