2-[2-ethoxy-4-(3-methyl-7-oxo-1-phenyl-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-7-oxo-1-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)phenoxy]acetamide
2-[2-ethoxy-4-(3-methyl-7-oxo-1-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | D302-0494 |
| Compound Name: | 2-[2-ethoxy-4-(3-methyl-7-oxo-1-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)phenoxy]acetamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CCOc1cc(ccc1OCC(N)=O)C1c2c(C)nn(c3ccccc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8607 |
| logD: | 1.8606 |
| logSw: | -2.6377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.606 |
| InChI Key: | ZGSXLBYREMJGLK-JOCHJYFZSA-N |