3-[4-(2-bromo-4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
Chemical Structure Depiction of
3-[4-(2-bromo-4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
3-[4-(2-bromo-4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
Compound characteristics
| Compound ID: | 8015-5514 |
| Compound Name: | 3-[4-(2-bromo-4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C20 H18 Br N5 O S |
| Smiles: | CCN1C=C(C(c2ccc(C)nc12)=O)c1nnc(n1c1ccc(C)cc1[Br])S |
| Stereo: | ACHIRAL |
| logP: | 4.4239 |
| logD: | 3.7062 |
| logSw: | -4.3889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.182 |
| InChI Key: | APLAOLLDZZVNEY-UHFFFAOYSA-N |