2-ethyl 4-methyl 5-[2-(adamantan-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-ethyl 4-methyl 5-[2-(adamantan-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate
2-ethyl 4-methyl 5-[2-(adamantan-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | Y500-7944 |
| Compound Name: | 2-ethyl 4-methyl 5-[2-(adamantan-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C22 H29 N O5 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OC)c(NC(CC23CC4CC(CC(C4)C3)C2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7913 |
| logD: | 2.2556 |
| logSw: | -4.6486 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.871 |
| InChI Key: | KLQPULFMFSDVQB-UHFFFAOYSA-N |