6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y040-3315 |
| Compound Name: | 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | CCc1cc2C(C(=COc2c(CN2CCCC2)c1O)c1nc(C)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7698 |
| logD: | 2.1315 |
| logSw: | -3.823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.934 |
| InChI Key: | QBYKTMGARPJPIU-UHFFFAOYSA-N |