methyl 2-{2-[(4-methyl-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-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2279-1460 |
| Compound Name: | methyl 2-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6296 |
| logD: | 1.4477 |
| logSw: | -4.2603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.911 |
| InChI Key: | XKRUGOZTCXPZTP-UHFFFAOYSA-N |