(4-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
(4-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Compound characteristics
Compound ID: | 4058-0049 |
Compound Name: | (4-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid |
Molecular Weight: | 503.3 |
Molecular Formula: | C22 H19 Br N2 O7 |
Smiles: | CCOc1cc(/C=C2/C(NC(N(C2=O)c2ccc(c(C)c2)[Br])=O)=O)ccc1OCC(O)=O |
Stereo: | ACHIRAL |
logP: | 2.8696 |
logD: | -1.3674 |
logSw: | -3.0454 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.571 |
InChI Key: | IGTCGTTXDJJXSD-UHFFFAOYSA-N |