6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-propyl-2H-1-benzopyran-2-one
6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0134 |
| Compound Name: | 6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 323.82 |
| Molecular Formula: | C17 H22 Cl N O3 |
| Smiles: | CCCC1=CC(=O)Oc2c1cc(c(c2CN(CC)CC)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4789 |
| logD: | 3.7532 |
| logSw: | -4.4279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.242 |
| InChI Key: | GKHAULKKQBSAIH-UHFFFAOYSA-N |