methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2607 |
| Compound Name: | methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 460.28 |
| Molecular Formula: | C21 H18 Br N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.752 |
| logD: | 3.7518 |
| logSw: | -4.1076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.116 |
| InChI Key: | VRPCZOHUKFXDAQ-UHFFFAOYSA-N |