2-{4-[1-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | D361-1610 |
| Compound Name: | 2-{4-[1-(3-chlorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | Cc1c2C(c3ccc(cc3)OCC(N)=O)SCC(Nc2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.694 |
| logD: | 2.6935 |
| logSw: | -3.6808 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.309 |
| InChI Key: | OJNITABYKMFLGG-HXUWFJFHSA-N |