3-(5-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
3-(5-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3684-2476 |
| Compound Name: | 3-(5-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 481.26 |
| Molecular Formula: | C22 H13 Br N2 O6 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Br])=O)=O)\c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2015 |
| logD: | 0.6888 |
| logSw: | -4.4374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | CSRQCMWRXQPYSN-UHFFFAOYSA-N |