3-(5-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
3-(5-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2368-0236 |
| Compound Name: | 3-(5-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 436.81 |
| Molecular Formula: | C22 H13 Cl N2 O6 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Cl])=O)=O)\c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9623 |
| logD: | 0.4496 |
| logSw: | -4.4252 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | SBYZFWUWMLXMCF-UHFFFAOYSA-N |