6-methyl-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-methyl-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-methyl-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6041 |
| Compound Name: | 6-methyl-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C12 H11 N O3 |
| Smiles: | CC(\C=C1/C(=O)Oc2ccc(C)cc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8683 |
| logD: | 1.8653 |
| logSw: | -2.3908 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.754 |
| InChI Key: | XLYWEQNEYLAFRP-UHFFFAOYSA-N |