methyl 3-amino-4-azido-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-4-azido-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-amino-4-azido-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8010-7795 |
| Compound Name: | methyl 3-amino-4-azido-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 293.26 |
| Molecular Formula: | C10 H7 N5 O4 S |
| Smiles: | COC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)N=[N+]=[N-])N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2018 |
| logD: | 2.2018 |
| logSw: | -2.3679 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.419 |
| InChI Key: | ROFFMEDUOAOAPJ-UHFFFAOYSA-N |