2-(5-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2368-0316 |
| Compound Name: | 2-(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(c2ccccc2C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4368 |
| logD: | -0.6161 |
| logSw: | -3.9905 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | MFYTZUHJUPEELC-UHFFFAOYSA-N |