4-butyl-6-chloro-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0110 |
| Compound Name: | 4-butyl-6-chloro-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 335.83 |
| Molecular Formula: | C18 H22 Cl N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc(c(c2CN1CCCC1)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6918 |
| logD: | 3.6982 |
| logSw: | -4.582 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.908 |
| InChI Key: | BVATZHAEXPQYGE-UHFFFAOYSA-N |