4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
Chemical Structure Depiction of
4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid
Compound characteristics
| Compound ID: | Y041-2819 |
| Compound Name: | 4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetamido)butanoic acid |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C25 H25 N O8 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(NCCCC(O)=O)=O)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.2448 |
| logD: | -1.5761 |
| logSw: | -2.3726 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.676 |
| InChI Key: | JVBYXBAFBADJRO-UHFFFAOYSA-N |