methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 3685-1987 |
| Compound Name: | methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 475.32 |
| Molecular Formula: | C20 H15 Br N2 O5 S |
| Smiles: | COC(COc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9002 |
| logD: | 2.5252 |
| logSw: | -3.5483 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.306 |
| InChI Key: | BRPACPJMUUNKFG-UHFFFAOYSA-N |