2-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)sulfanyl]ethan-1-amine
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)sulfanyl]ethan-1-amine
2-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)sulfanyl]ethan-1-amine
Compound characteristics
| Compound ID: | 4065-0367 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)sulfanyl]ethan-1-amine |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C16 H18 N2 O4 S |
| Smiles: | COc1ccc(CCNSc2ccccc2[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0811 |
| logD: | 2.9999 |
| logSw: | -3.4647 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.459 |
| InChI Key: | VRHUEUIOFZJEIB-UHFFFAOYSA-N |