2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-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-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-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: | V020-2082 |
| Compound Name: | 2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 543.1 |
| Molecular Formula: | C28 H32 Cl F N4 O2 S |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccccc2[Cl])c2c(C(C)(C)C)nn(c3cccc(c3)F)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2264 |
| logD: | 6.2264 |
| logSw: | -6.0768 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.039 |
| InChI Key: | XKYZEEFAGCVTSK-RUZDIDTESA-N |