2-chloro-4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
2-chloro-4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4299-0820 |
| Compound Name: | 2-chloro-4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 374.74 |
| Molecular Formula: | C17 H11 Cl N2 O6 |
| Smiles: | CN1C(C(=C\c2ccc(c3ccc(C(O)=O)c(c3)[Cl])o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6145 |
| logD: | -2.031 |
| logSw: | -3.5594 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.017 |
| InChI Key: | QOGBKZSONVVVKU-UHFFFAOYSA-N |