2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V028-1101 |
| Compound Name: | 2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 559.13 |
| Molecular Formula: | C31 H31 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccccc2[Cl])c2c(c3ccccc3)nn(c3ccc(C)cc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.587 |
| logD: | 6.587 |
| logSw: | -6.0774 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.768 |
| InChI Key: | KQWFOQDULVSNFP-SSEXGKCCSA-N |