4-{2-[(3-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-{2-[(3-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-{2-[(3-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2657 |
| Compound Name: | 4-{2-[(3-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C20 H18 Cl N3 O2 S |
| Smiles: | Cc1c2C(c3ccccc3OCc3cccc(c3)[Cl])SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4021 |
| logD: | 4.4018 |
| logSw: | -4.5255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.347 |
| InChI Key: | PZJUZUMDYAPYHY-LJQANCHMSA-N |