N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | L282-0138 |
| Compound Name: | N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C21 H20 N6 O S2 |
| Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.976 |
| logD: | 4.976 |
| logSw: | -4.6488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.599 |
| InChI Key: | ZHBXLFXLQSLDLV-UHFFFAOYSA-N |