diethyl 5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methylidene]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methylidene]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methylidene]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8004-3200 |
| Compound Name: | diethyl 5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methylidene]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C24 H29 N O8 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1/N=C/c1ccc2c(c1)OCCOCCOCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8798 |
| logD: | 2.8798 |
| logSw: | -3.1529 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.639 |
| InChI Key: | BONUNZPZFGRWAF-UHFFFAOYSA-N |