N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
Chemical Structure Depiction of
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
Compound characteristics
| Compound ID: | C545-0419 |
| Compound Name: | N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cc1cc2cc(CNC(Nc3ccc(cc3)[N+]([O-])=O)=S)ccc2n1C |
| Stereo: | ACHIRAL |
| logP: | 3.6642 |
| logD: | 3.6642 |
| logSw: | -3.8443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.271 |
| InChI Key: | ZEXRBTWEHMZYJO-UHFFFAOYSA-N |