ethyl 2-[4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamido]-5-nitrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamido]-5-nitrothiophene-3-carboxylate
ethyl 2-[4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamido]-5-nitrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3341-0872 |
| Compound Name: | ethyl 2-[4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamido]-5-nitrothiophene-3-carboxylate |
| Molecular Weight: | 515.56 |
| Molecular Formula: | C23 H21 N3 O7 S2 |
| Smiles: | CCOC(c1cc([N+]([O-])=O)sc1NC(c1ccc(cc1)S(N1CCCc2ccccc12)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2059 |
| logD: | -1.4109 |
| logSw: | -4.1789 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.763 |
| InChI Key: | NUNUKWHQRXVEPL-UHFFFAOYSA-N |