2-[2-methoxy-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-methoxy-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-methoxy-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: | D302-0493 |
| Compound Name: | 2-[2-methoxy-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: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OCC(N)=O)SCC(Nc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.715 |
| logD: | 1.715 |
| logSw: | -2.5462 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.026 |
| InChI Key: | AQDUTQZQZGOMIQ-OAQYLSRUSA-N |