N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | C700-0950 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide |
Molecular Weight: | 352.39 |
Molecular Formula: | C14 H12 N2 O5 S2 |
Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1ccsc1[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4324 |
logD: | 2.4324 |
logSw: | -2.8331 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.004 |
InChI Key: | QHSHDQBBNPDQHU-UHFFFAOYSA-N |