(4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
(4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Compound characteristics
| Compound ID: | 3685-0413 |
| Compound Name: | (4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid |
| Molecular Weight: | 489.28 |
| Molecular Formula: | C21 H17 Br N2 O7 |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)ccc1OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3838 |
| logD: | -1.8532 |
| logSw: | -2.8791 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.571 |
| InChI Key: | MHZLNSBLNMVXKA-UHFFFAOYSA-N |