2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V019-5136 |
| Compound Name: | 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 598.65 |
| Molecular Formula: | C33 H25 F3 N4 O2 S |
| Smiles: | C(c1ccc(cc1)F)NC(CN1C(CSC(c2ccc(cc2F)F)c2c(c3ccccc3)nn(c3ccccc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2871 |
| logD: | 6.2871 |
| logSw: | -5.9747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.496 |
| InChI Key: | WAQDFZFSVGATAH-JGCGQSQUSA-N |