ethyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
ethyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 3685-2180 |
| Compound Name: | ethyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate |
| Molecular Weight: | 519.37 |
| Molecular Formula: | C22 H19 Br N2 O6 S |
| Smiles: | CCOC(COc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0913 |
| logD: | 2.7162 |
| logSw: | -3.4259 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.603 |
| InChI Key: | FHSRYIKKRJDMNL-UHFFFAOYSA-N |