N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide
N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | C156-0218 |
| Compound Name: | N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | Cc1c(c2ccccc2[nH]1)SCCNC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1844 |
| logD: | 3.1844 |
| logSw: | -3.5413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.801 |
| InChI Key: | NLMMDVUDGLLISF-UHFFFAOYSA-N |