2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | V026-5077 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide |
| Molecular Weight: | 609.1 |
| Molecular Formula: | C33 H25 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | C(C(Nc1ccccc1)=O)N1C(CSC(c2ccc3c(c2)OCO3)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7466 |
| logD: | 6.7466 |
| logSw: | -6.4503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.989 |
| InChI Key: | ZBSCDLSWMZBQCW-JGCGQSQUSA-N |