4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3448-4447 |
| Compound Name: | 4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | C1CCC(CC1)N1C(C(=C\c2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.937 |
| logD: | -0.6699 |
| logSw: | -3.368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.632 |
| InChI Key: | ZTYCRSBGADRWNX-UHFFFAOYSA-N |