2-[1-tert-butyl-4-(2-chlorophenyl)-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-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[1-tert-butyl-4-(2-chlorophenyl)-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: | V010-3833 |
| Compound Name: | 2-[1-tert-butyl-4-(2-chlorophenyl)-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: | 525.11 |
| Molecular Formula: | C28 H33 Cl N4 O2 S |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccccc2[Cl])c2c(c3ccccc3)nn(c12)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6111 |
| logD: | 5.6111 |
| logSw: | -5.8354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.735 |
| InChI Key: | OVMVNBHALDQNJF-AREMUKBSSA-N |