3-[5-({1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)furan-2-yl]-4-chlorobenzoic acid
Chemical Structure Depiction of
3-[5-({1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)furan-2-yl]-4-chlorobenzoic acid
3-[5-({1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)furan-2-yl]-4-chlorobenzoic acid
Compound characteristics
| Compound ID: | 4489-8215 |
| Compound Name: | 3-[5-({1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)furan-2-yl]-4-chlorobenzoic acid |
| Molecular Weight: | 571.03 |
| Molecular Formula: | C32 H27 Cl N2 O6 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1ccc(cc1)N1C(C(=C\c2ccc(c3cc(ccc3[Cl])C(O)=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2759 |
| logD: | 3.9043 |
| logSw: | -6.18 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.131 |
| InChI Key: | LPJPBFZCANORLI-UHFFFAOYSA-N |