6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one
6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0057 |
| Compound Name: | 6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 329.78 |
| Molecular Formula: | C18 H16 Cl N O3 |
| Smiles: | CN(C)Cc1c(c(cc2C(=CC(=O)Oc12)c1ccccc1)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.6413 |
| logD: | 3.2496 |
| logSw: | -4.0438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.425 |
| InChI Key: | GKQNWOIDXNKHFQ-UHFFFAOYSA-N |