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-(butan-2-yl)acetamide
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-(butan-2-yl)acetamide
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-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | V020-7896 |
| 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-(butan-2-yl)acetamide |
| Molecular Weight: | 589.11 |
| Molecular Formula: | C31 H29 Cl N4 O4 S |
| Smiles: | CCC(C)NC(CN1C(CSC(c2ccc3c(c2)OCO3)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9887 |
| logD: | 5.9887 |
| logSw: | -6.0512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.024 |
| InChI Key: | IFRMXGFLHBIXJD-UHFFFAOYSA-N |