ethyl 2-[(4-nitrobenzene-1-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(4-nitrobenzene-1-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(4-nitrobenzene-1-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0197 |
| Compound Name: | ethyl 2-[(4-nitrobenzene-1-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C17 H18 N2 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9046 |
| logD: | -3.2444 |
| logSw: | -4.2202 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.738 |
| InChI Key: | ISEHDJOJUJWUIA-UHFFFAOYSA-N |