methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8018-8567 |
| Compound Name: | methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 252.25 |
| Molecular Formula: | C10 H8 N2 O4 S |
| Smiles: | COC(c1c(c2cc(ccc2s1)[N+]([O-])=O)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4143 |
| logD: | 2.4143 |
| logSw: | -2.7073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.927 |
| InChI Key: | WMZGLTDTPSMOMC-UHFFFAOYSA-N |