N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-methionine
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)-D-methionine
N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-methionine
Compound characteristics
| Compound ID: | Y041-4665 |
| Compound Name: | N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-methionine |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C26 H27 N O8 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(N[C@H](CCSC)C(O)=O)=O)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ABSOLUTE |
| logP: | 1.7273 |
| logD: | -1.8906 |
| logSw: | -2.722 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.489 |
| InChI Key: | JRGALSGVFNVSMX-IBGZPJMESA-N |