2-{4-[1-(3-chloro-4-methylphenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(3-chloro-4-methylphenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
2-{4-[1-(3-chloro-4-methylphenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Compound characteristics
| Compound ID: | D361-1854 |
| Compound Name: | 2-{4-[1-(3-chloro-4-methylphenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C22 H21 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c2c(C(c3ccc(cc3)OCC(N)=O)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3094 |
| logD: | 3.3088 |
| logSw: | -3.6308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.309 |
| InChI Key: | HGRSHCBJWAABCJ-OAQYLSRUSA-N |