N-[(2-methyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
Chemical Structure Depiction of
N-[(2-methyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
N-[(2-methyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
Compound characteristics
| Compound ID: | C545-0382 |
| Compound Name: | N-[(2-methyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | Cc1cc2cc(CNC(Nc3ccc(cc3)[N+]([O-])=O)=S)ccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.3245 |
| logD: | 3.3245 |
| logSw: | -3.6641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.92 |
| InChI Key: | CRCNIUKDNVCGQF-UHFFFAOYSA-N |