4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | 8018-5757 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 317.73 |
| Molecular Formula: | C16 H12 Cl N O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(COc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2087 |
| logD: | 3.2087 |
| logSw: | -3.3384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.184 |
| InChI Key: | OWUMNDLUYKBJTM-UHFFFAOYSA-N |