4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoic acid
4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3685-0085 |
| Compound Name: | 4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoic acid |
| Molecular Weight: | 415.2 |
| Molecular Formula: | C18 H11 Br N2 O5 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Br])=O)=O)/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0715 |
| logD: | -0.5353 |
| logSw: | -3.4486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.799 |
| InChI Key: | PGZLTTMKDSSVFU-UHFFFAOYSA-N |