5-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-2-nitrobenzamide
Chemical Structure Depiction of
5-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-2-nitrobenzamide
5-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | C156-0085 |
| Compound Name: | 5-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-2-nitrobenzamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C18 H16 Cl N3 O3 S |
| Smiles: | Cc1c(c2ccccc2[nH]1)SCCNC(c1cc(ccc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8257 |
| logD: | 3.8248 |
| logSw: | -4.4098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.5 |
| InChI Key: | IYXOJTOXCDELMB-UHFFFAOYSA-N |