N-{(3-chloro-4-methylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea
Chemical Structure Depiction of
N-{(3-chloro-4-methylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea
N-{(3-chloro-4-methylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea
Compound characteristics
| Compound ID: | 4582-0096 |
| Compound Name: | N-{(3-chloro-4-methylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea |
| Molecular Weight: | 424.95 |
| Molecular Formula: | C21 H21 Cl N6 S |
| Smiles: | Cc1ccc(cc1[Cl])N\C(Nc1nc(C)cc(C)n1)=N/C(Nc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5682 |
| logD: | -0.1296 |
| logSw: | -6.0708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.579 |
| InChI Key: | MTLBOUOBISMZLT-UHFFFAOYSA-N |