2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | V011-8356 |
| Compound Name: | 2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C32 H34 N4 O4 S |
| Smiles: | CC(C)(C)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(Nc2ccccc2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9546 |
| logD: | 5.9546 |
| logSw: | -5.4944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.315 |
| InChI Key: | YMKDJGMXFQVTGQ-SSEXGKCCSA-N |