6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0084 |
| Compound Name: | 6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 293.75 |
| Molecular Formula: | C15 H16 Cl N O3 |
| Smiles: | CC1=CC(=O)Oc2c1cc(c(c2CN1CCCC1)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2855 |
| logD: | 2.2919 |
| logSw: | -3.548 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.908 |
| InChI Key: | AQNCUUIANDEMCX-UHFFFAOYSA-N |