4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2689 |
| Compound Name: | 4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | Cc1cccc(COc2ccc(cc2OC)C2c3c(C)n[nH]c3NC(CS2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9019 |
| logD: | 3.9015 |
| logSw: | -4.0974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.977 |
| InChI Key: | XYPWYRSGJUFBJZ-OAQYLSRUSA-N |