N-({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-alanine
Chemical Structure Depiction of
N-({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-alanine
N-({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-alanine
Compound characteristics
| Compound ID: | Y043-8426 |
| Compound Name: | N-({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)-D-alanine |
| Molecular Weight: | 441.39 |
| Molecular Formula: | C22 H19 N O9 |
| Smiles: | C[C@H](C(O)=O)NC(COc1cc(c2C(C(=COc2c1)c1ccc2c(c1)OCCO2)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1081 |
| logD: | -3.5405 |
| logSw: | -2.0604 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.773 |
| InChI Key: | WBAHNPGYKCTDBK-NSHDSACASA-N |