2,6-dimethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2,6-dimethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenyl acetate
2,6-dimethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 3229-2270 |
| Compound Name: | 2,6-dimethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 374.35 |
| Molecular Formula: | C18 H18 N2 O7 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(NC(N(CC=C)C2=O)=O)=O)cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2463 |
| logD: | 1.1938 |
| logSw: | -2.2621 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.437 |
| InChI Key: | NZXLGAUIQFHQGG-UHFFFAOYSA-N |