2-{4-[1-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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: | D302-0039 |
| Compound Name: | 2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C23 H21 N5 O4 S2 |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OCC(N)=O)SCC(Nc2n(c2nc3ccccc3s2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8125 |
| logD: | 2.8085 |
| logSw: | -3.283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.562 |
| InChI Key: | RGNPKGZSZWBLJL-OAQYLSRUSA-N |