2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V020-2071 |
| Compound Name: | 2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 584.74 |
| Molecular Formula: | C33 H36 N4 O4 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccc(c(c2)OC)OC)c2c(c3ccccc3)nn(c3cccc(C)c3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7632 |
| logD: | 5.7632 |
| logSw: | -5.4849 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.569 |
| InChI Key: | OXTZLKFRLZADOD-JGCGQSQUSA-N |