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]-2-methoxyphenoxy}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]-2-methoxyphenoxy}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]-2-methoxyphenoxy}acetamide
Compound characteristics
| Compound ID: | D361-1852 |
| 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]-2-methoxyphenoxy}acetamide |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c2c(C(c3ccc(c(c3)OC)OCC(N)=O)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0864 |
| logD: | 3.0859 |
| logSw: | -3.4987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.026 |
| InChI Key: | DZLBHEBQHKSTSK-JOCHJYFZSA-N |