3-methyl-4-{4-[(3-methylphenyl)methoxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-4-{4-[(3-methylphenyl)methoxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-4-{4-[(3-methylphenyl)methoxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2679 |
| Compound Name: | 3-methyl-4-{4-[(3-methylphenyl)methoxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | Cc1cccc(COc2ccc(cc2)C2c3c(C)n[nH]c3NC(CS2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1248 |
| logD: | 4.1245 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.26 |
| InChI Key: | QTXKEYNCYNHRCN-HXUWFJFHSA-N |