1-(2-chlorophenyl)-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-(2-chlorophenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0469 |
| Compound Name: | 1-(2-chlorophenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 415.96 |
| Molecular Formula: | C20 H18 Cl N3 O S2 |
| Smiles: | Cc1c2C(c3ccc(cc3)SC)SCC(Nc2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8819 |
| logD: | 4.8814 |
| logSw: | -4.9516 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.121 |
| InChI Key: | CXYDUOIWLWEKGB-LJQANCHMSA-N |