2-{4-[1-(4-chlorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(4-chlorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide
2-{4-[1-(4-chlorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide
Compound characteristics
| Compound ID: | D302-0501 |
| Compound Name: | 2-{4-[1-(4-chlorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | CCOc1cc(ccc1OCC(N)=O)C1c2c(C)nn(c3ccc(cc3)[Cl])c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.577 |
| logD: | 2.5769 |
| logSw: | -3.5656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.606 |
| InChI Key: | KTBGHSUEUMNPLZ-JOCHJYFZSA-N |