2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V023-4030 |
| Compound Name: | 2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 604.79 |
| Molecular Formula: | C32 H36 N4 O4 S2 |
| Smiles: | CC(C)CNC(CN1C(CSC(c2c(c3c(cccc3OC)OC)nn(c3cccc(C)c3C)c12)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6084 |
| logD: | 5.6084 |
| logSw: | -5.4798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.746 |
| InChI Key: | IKBBNPWAOMYPTB-HKBQPEDESA-N |