N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea
Chemical Structure Depiction of
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea
Compound characteristics
| Compound ID: | C657-0069 |
| Compound Name: | N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-N'-(4-nitrophenyl)thiourea |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C18 H17 F N4 O2 S |
| Smiles: | Cc1c(CCNC(Nc2ccc(cc2)[N+]([O-])=O)=S)c2cc(ccc2[nH]1)F |
| Stereo: | ACHIRAL |
| logP: | 3.9462 |
| logD: | 3.9462 |
| logSw: | -4.2402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.532 |
| InChI Key: | TXNSTNJHXKIRQI-UHFFFAOYSA-N |