2-chloro-4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2368-0412 |
| Compound Name: | 2-chloro-4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 450.83 |
| Molecular Formula: | C23 H15 Cl N2 O6 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(C(O)=O)c(c3)[Cl])o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0801 |
| logD: | -0.5653 |
| logSw: | -4.3845 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | SJUSNSIEIKNHNB-UHFFFAOYSA-N |