diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3019-0670 |
| Compound Name: | diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 522.64 |
| Molecular Formula: | C24 H30 N2 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cccc(c1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2815 |
| logD: | 0.167 |
| logSw: | -4.2376 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.673 |
| InChI Key: | XTDAKJZFYDRQAV-UHFFFAOYSA-N |