6-[(3-methoxyphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[(3-methoxyphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one
6-[(3-methoxyphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V018-4256 |
| Compound Name: | 6-[(3-methoxyphenoxy)acetyl]-4-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C25 H28 N2 O6 |
| Smiles: | COc1cccc(c1)OCC(c1ccc2c(c1)N(CCCC(N1CCCC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2093 |
| logD: | 2.2093 |
| logSw: | -2.6534 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.823 |
| InChI Key: | AGBVMTIKXQXRAH-UHFFFAOYSA-N |