diethyl 5-[3-(1H-benzotriazol-1-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[3-(1H-benzotriazol-1-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[3-(1H-benzotriazol-1-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8012-0255 |
| Compound Name: | diethyl 5-[3-(1H-benzotriazol-1-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CCn1c2ccccc2nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8357 |
| logD: | 0.483 |
| logSw: | -3.1761 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.094 |
| InChI Key: | WZIVPELFECKVOQ-UHFFFAOYSA-N |