2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V007-3834 |
| Compound Name: | 2-[1,4-bis(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C31 H32 N4 O3 S |
| Smiles: | Cc1ccccc1C1c2c(c3ccccc3)nn(c3ccccc3C)c2N(CC(NCCOC)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2458 |
| logD: | 5.2458 |
| logSw: | -5.0347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.651 |
| InChI Key: | BZNSMFWWNDQDLO-SSEXGKCCSA-N |