6-(butan-2-yl)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-(butan-2-yl)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-(butan-2-yl)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | C301-0802 |
| Compound Name: | 6-(butan-2-yl)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CCC(C)c1ccc2c(c1)NC(=C\C(c1ccc(C)cc1)=O)\C(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2762 |
| logD: | 5.2762 |
| logSw: | -5.2325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.395 |
| InChI Key: | NQSJVMPXCJYOBH-AWEZNQCLSA-N |