ethyl 4-(2-{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetamido)benzoate
ethyl 4-(2-{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetamido)benzoate
Compound characteristics
| Compound ID: | Y500-5617 |
| Compound Name: | ethyl 4-(2-{4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetamido)benzoate |
| Molecular Weight: | 497.53 |
| Molecular Formula: | C24 H23 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(COc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3161 |
| logD: | 2.8905 |
| logSw: | -3.6044 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.053 |
| InChI Key: | ZGMJBIVMGPHLDU-UHFFFAOYSA-N |