2-chloro-4-(5-{[1-(4-ethoxyphenyl)-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-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-4-(5-{[1-(4-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3970-1307 |
| Compound Name: | 2-chloro-4-(5-{[1-(4-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 480.86 |
| Molecular Formula: | C24 H17 Cl N2 O7 |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2ccc(c3ccc(C(O)=O)c(c3)[Cl])o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0257 |
| logD: | -0.6198 |
| logSw: | -4.3316 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.492 |
| InChI Key: | LXQWVLUMFGZEFR-UHFFFAOYSA-N |