2,2'-{[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]azanediyl}diacetic acid
Chemical Structure Depiction of
2,2'-{[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]azanediyl}diacetic acid
2,2'-{[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]azanediyl}diacetic acid
Compound characteristics
| Compound ID: | Y041-2141 |
| Compound Name: | 2,2'-{[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]azanediyl}diacetic acid |
| Molecular Weight: | 427.41 |
| Molecular Formula: | C22 H21 N O8 |
| Smiles: | CC1=C(CC(N(CC(O)=O)CC(O)=O)=O)C(=O)Oc2cc3c(cc12)c1CCCCc1o3 |
| Stereo: | ACHIRAL |
| logP: | 0.214 |
| logD: | -3.7143 |
| logSw: | -1.566 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.998 |
| InChI Key: | RGLBSMPQRNWXDO-UHFFFAOYSA-N |