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]phenoxy}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]phenoxy}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]phenoxy}acetamide
Compound characteristics
| Compound ID: | D302-0040 |
| 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]phenoxy}acetamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C22 H19 N5 O3 S2 |
| Smiles: | Cc1c2C(c3ccc(cc3)OCC(N)=O)SCC(Nc2n(c2nc3ccccc3s2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0354 |
| logD: | 3.0315 |
| logSw: | -3.27 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.845 |
| InChI Key: | WILCETCRWKMLIB-HXUWFJFHSA-N |