ethyl 2-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4673-0335 |
| Compound Name: | ethyl 2-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C24 H25 N O6 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(COc1ccc2C(C)=CC(=O)Oc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5078 |
| logD: | 2.326 |
| logSw: | -4.5786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.822 |
| InChI Key: | XYCNSMLEVCLKGA-UHFFFAOYSA-N |