ethyl 4-{[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
ethyl 4-{[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | Y508-9775 |
| Compound Name: | ethyl 4-{[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C26 H33 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC=C1C(N(C2CCCCC2)C(N(C2CCCCC2)C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0323 |
| logD: | 4.1024 |
| logSw: | -4.5143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.849 |
| InChI Key: | VLPIINJALGIUSO-UHFFFAOYSA-N |