4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-6-[(2,3,6-trimethylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-6-[(2,3,6-trimethylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-6-[(2,3,6-trimethylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V018-5820 |
| Compound Name: | 4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-6-[(2,3,6-trimethylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | Cc1ccc(C)c(c1C)OCC(c1ccc2c(c1)N(CCCC(N1CCCC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6697 |
| logD: | 3.6697 |
| logSw: | -3.9783 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.453 |
| InChI Key: | VURPGESFKACFRG-UHFFFAOYSA-N |