N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea
Chemical Structure Depiction of
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea
Compound characteristics
| Compound ID: | C657-0104 |
| Compound Name: | N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | Cc1c(CCNC(Nc2ccc(cc2)[N+]([O-])=O)=S)c2cc(ccc2[nH]1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5578 |
| logD: | 4.5578 |
| logSw: | -4.6641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.532 |
| InChI Key: | JBEGSNVNHHBYBK-UHFFFAOYSA-N |