3-(4-bromobenzoyl)-7-methyl-1-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1,8-naphthyridin-4(1H)-one
Chemical Structure Depiction of
3-(4-bromobenzoyl)-7-methyl-1-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1,8-naphthyridin-4(1H)-one
3-(4-bromobenzoyl)-7-methyl-1-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1,8-naphthyridin-4(1H)-one
Compound characteristics
| Compound ID: | C200-4786 |
| Compound Name: | 3-(4-bromobenzoyl)-7-methyl-1-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1,8-naphthyridin-4(1H)-one |
| Molecular Weight: | 532.39 |
| Molecular Formula: | C27 H22 Br N3 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CN1C=C(C(c2ccc(cc2)[Br])=O)C(c2ccc(C)nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1928 |
| logD: | 5.1928 |
| logSw: | -5.0018 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.743 |
| InChI Key: | LJLNVYVCXSBZSZ-UHFFFAOYSA-N |