ethyl {[2-(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[2-(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate
ethyl {[2-(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2958-7501 |
| Compound Name: | ethyl {[2-(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C25 H26 N2 O7 S |
| Smiles: | CCOC(CSCCOc1ccc(/C=C2/C(NC(N(C2=O)c2ccc(C)cc2)=O)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1407 |
| logD: | 2.8376 |
| logSw: | -3.3836 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.684 |
| InChI Key: | XCMAYLJGQDJBDK-UHFFFAOYSA-N |