N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-4-methyl-3-nitrobenzamide
N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | C156-0220 |
| Compound Name: | N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NCCSc1c[nH]c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6792 |
| logD: | 3.6792 |
| logSw: | -4.1623 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.445 |
| InChI Key: | PWDOQMLKOXCTGD-UHFFFAOYSA-N |