ethyl 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
ethyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 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: | Y040-7782 |
| Compound Name: | ethyl 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: | 489.97 |
| Molecular Formula: | C24 H24 Cl N O6 S |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4416 |
| logD: | 3.2598 |
| logSw: | -6.1603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.578 |
| InChI Key: | DXTRLMMTOUFRBG-UHFFFAOYSA-N |