4-{[4-({1-[4-(adamantan-2-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-({1-[4-(adamantan-2-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
4-{[4-({1-[4-(adamantan-2-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3609-0277 |
| Compound Name: | 4-{[4-({1-[4-(adamantan-2-yl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid |
| Molecular Weight: | 606.68 |
| Molecular Formula: | C36 H34 N2 O7 |
| Smiles: | COc1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)C2C3CC4CC(C3)CC2C4)=O)=O)ccc1OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9943 |
| logD: | 3.0228 |
| logSw: | -5.582 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.505 |
| InChI Key: | RJDNRFYNSPNKET-UHFFFAOYSA-N |