2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate
2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate
Compound characteristics
| Compound ID: | 7647-0942 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C19 H17 N O4 |
| Smiles: | CCC(=O)Oc1ccc2c(c1)C(=O)OC(c1ccc(C)c(C)c1)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.8284 |
| logD: | 3.8284 |
| logSw: | -3.9712 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.24 |
| InChI Key: | PGGUOGOQGDNJDX-UHFFFAOYSA-N |