2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V010-4635 |
| Compound Name: | 2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 550.72 |
| Molecular Formula: | C30 H38 N4 O4 S |
| Smiles: | CCCNC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(C(C)(C)C)nn(c3ccc(C)cc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7594 |
| logD: | 5.7594 |
| logSw: | -5.3775 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.055 |
| InChI Key: | RABAGDHXVAILHA-HHHXNRCGSA-N |