methyl 3-acetamido-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-acetamido-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-acetamido-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
Compound ID: | 8012-5614 |
Compound Name: | methyl 3-acetamido-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate |
Molecular Weight: | 382.46 |
Molecular Formula: | C16 H18 N2 O5 S2 |
Smiles: | CC(C)CSc1cc(cc2c1c(c(C(=O)OC)s2)NC(C)=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.1047 |
logD: | 3.0404 |
logSw: | -3.5396 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.407 |
InChI Key: | SZCGKRITYPADFI-UHFFFAOYSA-N |