methyl 3-amino-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-amino-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-5610 |
| Compound Name: | methyl 3-amino-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C14 H16 N2 O4 S2 |
| Smiles: | CC(C)CSc1cc(cc2c1c(c(C(=O)OC)s2)N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1205 |
| logD: | 4.1205 |
| logSw: | -4.5336 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.927 |
| InChI Key: | POZSDOMOSSHYLS-UHFFFAOYSA-N |