N-{(3,4-dichloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea
Chemical Structure Depiction of
N-{(3,4-dichloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea
N-{(3,4-dichloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea
Compound characteristics
| Compound ID: | Y021-1495 |
| Compound Name: | N-{(3,4-dichloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-phenylthiourea |
| Molecular Weight: | 445.37 |
| Molecular Formula: | C20 H18 Cl2 N6 S |
| Smiles: | Cc1cc(C)nc(NC(\Nc2ccc(c(c2)[Cl])[Cl])=N/C(Nc2ccccc2)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6523 |
| logD: | -0.0455 |
| logSw: | -6.0804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.579 |
| InChI Key: | GTNUJWHLVLPMIB-UHFFFAOYSA-N |