2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-methylphenyl)-7-oxo-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-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V021-2949 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 548.7 |
| Molecular Formula: | C30 H36 N4 O4 S |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccc3c(c2)OCO3)c2c(C(C)(C)C)nn(c3ccccc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.967 |
| logD: | 5.967 |
| logSw: | -5.4882 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.854 |
| InChI Key: | RXCYZXKDNVHBQN-HHHXNRCGSA-N |