(2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
(2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
Compound ID: | 2817-0157 |
Compound Name: | (2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid |
Molecular Weight: | 475.25 |
Molecular Formula: | C20 H15 Br N2 O7 |
Smiles: | COc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)[Br])OCC(O)=O)\C(NC1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1639 |
logD: | -2.0731 |
logSw: | -2.9049 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.904 |
InChI Key: | SCQLAJODUUOJMV-UHFFFAOYSA-N |