6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0095 |
| Compound Name: | 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.8 |
| Molecular Formula: | C17 H20 Cl N O3 |
| Smiles: | CCC1=C(C)c2cc(c(c(CN3CCCC3)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2105 |
| logD: | 3.2169 |
| logSw: | -4.3212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.422 |
| InChI Key: | RVFIDHUVNOVZPP-UHFFFAOYSA-N |