1-(4-methoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-methoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0467 |
| Compound Name: | 1-(4-methoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C21 H21 N3 O2 S2 |
| Smiles: | Cc1c2C(c3ccc(cc3)SC)SCC(Nc2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3026 |
| logD: | 4.3025 |
| logSw: | -4.2538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.966 |
| InChI Key: | MLVYNFQAEXYJTI-HXUWFJFHSA-N |