methyl 2-[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carbonyl)amino]benzoate
methyl 2-[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E722-3380 |
| Compound Name: | methyl 2-[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C21 H21 N O3 S2 |
| Smiles: | CC1CCc2c3CSC(=Cc3sc2C1)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4545 |
| logD: | 5.4504 |
| logSw: | -5.4338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.665 |
| InChI Key: | BKZSJOVDFOBWIY-GFCCVEGCSA-N |