6-chloro-8-[(diethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(diethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
6-chloro-8-[(diethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0093 |
| Compound Name: | 6-chloro-8-[(diethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 323.82 |
| Molecular Formula: | C17 H22 Cl N O3 |
| Smiles: | CCC1=C(C)c2cc(c(c(CN(CC)CC)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4778 |
| logD: | 3.7521 |
| logSw: | -4.4255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.756 |
| InChI Key: | ZXSFSVATRKBBMJ-UHFFFAOYSA-N |