3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0032 |
| Compound Name: | 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 383.87 |
| Molecular Formula: | C22 H22 Cl N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1cc(c(c2CN1CCCC1)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2452 |
| logD: | 4.2516 |
| logSw: | -5.312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.151 |
| InChI Key: | NHHAFKYBNLNZRA-UHFFFAOYSA-N |