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-methoxyethyl)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-methoxyethyl)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-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V008-1952 |
| 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-methoxyethyl)acetamide |
| Molecular Weight: | 527.09 |
| Molecular Formula: | C27 H31 Cl N4 O3 S |
| Smiles: | CC(C)(C)n1c2c(C(c3ccccc3[Cl])SCC(N2CC(NCCOC)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4549 |
| logD: | 4.4549 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.918 |
| InChI Key: | OPCVKRQJJONKHO-RUZDIDTESA-N |