4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Chemical Structure Depiction of
4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Compound characteristics
| Compound ID: | 3685-1420 |
| Compound Name: | 4-(5-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid |
| Molecular Weight: | 495.28 |
| Molecular Formula: | C23 H15 Br N2 O6 |
| Smiles: | Cc1cc(ccc1c1ccc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=O)=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5258 |
| logD: | 1.2908 |
| logSw: | -4.2505 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | CLLDKRMIDVGSPA-UHFFFAOYSA-N |