8-{[bis(2-hydroxyethyl)amino]methyl}-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[bis(2-hydroxyethyl)amino]methyl}-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4H-1-benzopyran-4-one
8-{[bis(2-hydroxyethyl)amino]methyl}-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1325 |
| Compound Name: | 8-{[bis(2-hydroxyethyl)amino]methyl}-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Smiles: | CCc1cc2C(C(=COc2c(CN(CCO)CCO)c1O)c1nc(C)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4163 |
| logD: | 2.2606 |
| logSw: | -2.4599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.087 |
| InChI Key: | NSPHOSAQCREYTC-UHFFFAOYSA-N |