N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8012-8280 |
| Compound Name: | N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 362.36 |
| Molecular Formula: | C16 H14 N2 O6 S |
| Smiles: | C(CSc1cc(cc(c1)[N+]([O-])=O)NC(c1ccc2c(c1)OCO2)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.6049 |
| logD: | 2.5997 |
| logSw: | -3.1426 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.482 |
| InChI Key: | MXLKSHWFYLMHNO-UHFFFAOYSA-N |