N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-beta-alanine
Chemical Structure Depiction of
N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-beta-alanine
N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-beta-alanine
Compound characteristics
| Compound ID: | Y041-2822 |
| Compound Name: | N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-beta-alanine |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C24 H23 N O8 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(NCCC(O)=O)=O)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 0.831 |
| logD: | -1.8647 |
| logSw: | -2.3599 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.676 |
| InChI Key: | QZSZJGZMMPGJSP-UHFFFAOYSA-N |