2-chloro-4-(5-{[1-(4-methoxyphenyl)-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-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-4-(5-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3970-2150 |
| Compound Name: | 2-chloro-4-(5-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 466.83 |
| Molecular Formula: | C23 H15 Cl N2 O7 |
| Smiles: | COc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(C(O)=O)c(c3)[Cl])o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6391 |
| logD: | -1.0063 |
| logSw: | -4.1041 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.912 |
| InChI Key: | ATIGYGFXQQREGY-UHFFFAOYSA-N |