2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V010-7638 |
| Compound Name: | 2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C30 H29 F N4 O2 S |
| Smiles: | CC(C)NC(CN1C(CSC(c2ccccc2C)c2c(c3ccccc3)nn(c3ccc(cc3)F)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.641 |
| logD: | 5.641 |
| logSw: | -5.4335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.742 |
| InChI Key: | XYOIVYDBKQGWFW-GDLZYMKVSA-N |