methyl (2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
methyl (2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
methyl (2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 2897-1566 |
| Compound Name: | methyl (2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C22 H20 N2 O7 S |
| Smiles: | COC(COc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=S)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7739 |
| logD: | 1.3989 |
| logSw: | -2.6617 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.567 |
| InChI Key: | VFSCCWMHTNHJLR-UHFFFAOYSA-N |