ethyl 5-nitro-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-nitro-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]thiophene-3-carboxylate
ethyl 5-nitro-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3343-0611 |
| Compound Name: | ethyl 5-nitro-2-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl)benzamido]thiophene-3-carboxylate |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C24 H29 N3 O7 S2 |
| Smiles: | CCOC(c1cc([N+]([O-])=O)sc1NC(c1ccc(cc1)S(N1CC2(C)CC1CC(C)(C)C2)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.589 |
| logD: | -1.0278 |
| logSw: | -4.4852 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.784 |
| InChI Key: | OXCBQOPFOZXGFU-UHFFFAOYSA-N |