2-{2-methoxy-4-[3-methyl-1-(4-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-methoxy-4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
2-{2-methoxy-4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Compound characteristics
| Compound ID: | D302-0496 |
| Compound Name: | 2-{2-methoxy-4-[3-methyl-1-(4-methylphenyl)-7-oxo-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: | Cc1ccc(cc1)n1c2c(C(c3ccc(c(c3)OC)OCC(N)=O)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.26 |
| logD: | 2.2599 |
| logSw: | -2.9185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.026 |
| InChI Key: | VHTVBBYKHCXMLN-JOCHJYFZSA-N |