2-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-5-nitrobenzamide
2-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-5-nitrobenzamide
Compound characteristics
| Compound ID: | C156-0086 |
| Compound Name: | 2-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-5-nitrobenzamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C18 H16 Cl N3 O3 S |
| Smiles: | Cc1c(c2ccccc2[nH]1)SCCNC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0085 |
| logD: | 4.0084 |
| logSw: | -4.4902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.801 |
| InChI Key: | RPLFWFZTUUHYRF-UHFFFAOYSA-N |