6-[(2,6-dimethylphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[(2,6-dimethylphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one
6-[(2,6-dimethylphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V016-3557 |
| Compound Name: | 6-[(2,6-dimethylphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C26 H30 N2 O5 |
| Smiles: | Cc1cccc(C)c1OCC(c1ccc2c(c1)N(CCCC(N1CCCC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1211 |
| logD: | 3.1211 |
| logSw: | -3.2626 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.453 |
| InChI Key: | OKDKJTCODPFNLT-UHFFFAOYSA-N |