methyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y043-7244 |
| Compound Name: | methyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C23 H22 Cl N O6 S |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0593 |
| logD: | 2.8775 |
| logSw: | -5.4353 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.998 |
| InChI Key: | DYXSEINHTDGHHO-UHFFFAOYSA-N |