{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
Chemical Structure Depiction of
{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
Compound characteristics
| Compound ID: | 2188-3271 |
| Compound Name: | {[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1) |
| Molecular Weight: | 501.53 |
| Molecular Formula: | C22 H20 O7 |
| Salt: | (HOCH2CH2)2NH |
| Smiles: | CCc1cc2C(C(=C(C)Oc2cc1OCC(O)=O)c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0422 |
| logD: | -1.1948 |
| logSw: | -3.1692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.118 |
| InChI Key: | CKDRSRIVEGWMFI-UHFFFAOYSA-N |