ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carbonyl)amino]benzoate
ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E722-2534 |
| Compound Name: | ethyl 4-[(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: | CCOC(c1ccc(cc1)NC(C1=Cc2c(CS1)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6991 |
| logD: | 5.6991 |
| logSw: | -5.3696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.943 |
| InChI Key: | SZGWOSRMRZOCEV-UHFFFAOYSA-N |