4-[4-(morpholin-4-yl)-4-oxobutyl]-6-{[3-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[4-(morpholin-4-yl)-4-oxobutyl]-6-{[3-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one
4-[4-(morpholin-4-yl)-4-oxobutyl]-6-{[3-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V013-0744 |
| Compound Name: | 4-[4-(morpholin-4-yl)-4-oxobutyl]-6-{[3-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C27 H32 N2 O6 |
| Smiles: | CC(C)c1cccc(c1)OCC(c1ccc2c(c1)N(CCCC(N1CCOCC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4886 |
| logD: | 2.4886 |
| logSw: | -2.8413 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.822 |
| InChI Key: | HCULEDUNABQOQO-UHFFFAOYSA-N |