2-[3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V003-9333 |
| Compound Name: | 2-[3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 590.76 |
| Molecular Formula: | C31 H34 N4 O4 S2 |
| Smiles: | CCCNC(CN1C(CSC(c2ccsc2)c2c(c3c(cccc3OC)OC)nn(c3ccc(C)cc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4785 |
| logD: | 5.4785 |
| logSw: | -5.4088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.588 |
| InChI Key: | KNZBWLHEHAJWRC-PMERELPUSA-N |