ethyl {[2-(2-methoxy-4-{[1-(4-methoxyphenyl)-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-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate
ethyl {[2-(2-methoxy-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3202-0396 |
| Compound Name: | ethyl {[2-(2-methoxy-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate |
| Molecular Weight: | 514.55 |
| Molecular Formula: | C25 H26 N2 O8 S |
| Smiles: | CCOC(CSCCOc1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=O)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6996 |
| logD: | 2.3966 |
| logSw: | -3.2871 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.228 |
| InChI Key: | UZBJOSSBQPXWID-UHFFFAOYSA-N |