6-chloro-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6070 |
| Compound Name: | 6-chloro-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 279.72 |
| Molecular Formula: | C14 H14 Cl N O3 |
| Smiles: | CC(C)(C)C(\C=C1/C(=O)Oc2ccc(cc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6031 |
| logD: | 3.3769 |
| logSw: | -3.8061 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.666 |
| InChI Key: | GAVYETMMIPBYEN-UHFFFAOYSA-N |