N-{(4-chloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-(prop-2-en-1-yl)thiourea
Chemical Structure Depiction of
N-{(4-chloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-(prop-2-en-1-yl)thiourea
N-{(4-chloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-(prop-2-en-1-yl)thiourea
Compound characteristics
| Compound ID: | 4582-0100 |
| Compound Name: | N-{(4-chloroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-(prop-2-en-1-yl)thiourea |
| Molecular Weight: | 374.89 |
| Molecular Formula: | C17 H19 Cl N6 S |
| Smiles: | Cc1cc(C)nc(NC(/Nc2ccc(cc2)[Cl])=N/C(NCC=C)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6483 |
| logD: | -3.2853 |
| logSw: | -4.0867 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 57.014 |
| InChI Key: | LRAMNTKIIBTTTC-UHFFFAOYSA-N |