methyl 2-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y043-7916 |
| Compound Name: | methyl 2-{2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C25 H27 N O6 S |
| Smiles: | CCCC1=CC(=O)Oc2c1ccc(c2C)OCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1314 |
| logD: | 2.9496 |
| logSw: | -5.141 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.682 |
| InChI Key: | APOZTERFVMQUCF-UHFFFAOYSA-N |