N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-valine
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-valine
N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-valine
Compound characteristics
| Compound ID: | Y041-4664 |
| 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-valine |
| Molecular Weight: | 481.5 |
| Molecular Formula: | C26 H27 N O8 |
| Smiles: | CC(C)[C@H](C(O)=O)NC(COc1ccc2C(C(=C(C)Oc2c1)c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3707 |
| logD: | -2.2164 |
| logSw: | -2.4296 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.211 |
| InChI Key: | AJPHCNPBBKICTI-DEOSSOPVSA-N |