diethyl 3-methyl-5-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 7489-2080 |
| Compound Name: | diethyl 3-methyl-5-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H22 N2 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CCN1C(=O)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2008 |
| logD: | 0.4474 |
| logSw: | -3.6862 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.496 |
| InChI Key: | SHPZVUJHTIPTET-UHFFFAOYSA-N |