2-{2-ethoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Chemical Structure Depiction of
2-{2-ethoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
2-{2-ethoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Compound characteristics
| Compound ID: | D361-2589 |
| Compound Name: | 2-{2-ethoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CCOc1cc(ccc1OCC(N)=O)C1c2c(C)nn(c3ccccc3C)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5122 |
| logD: | 2.512 |
| logSw: | -2.8115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.305 |
| InChI Key: | HXIWMDMGOVWMRI-HSZRJFAPSA-N |