N-[3-(methylsulfanyl)phenyl]-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
N-[3-(methylsulfanyl)phenyl]-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
Compound characteristics
| Compound ID: | S346-0890 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C20 H21 N5 O S |
| Smiles: | CSc1cccc(c1)NC(Nc1ccc(cc1)c1nnc2CCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9831 |
| logD: | 3.982 |
| logSw: | -4.0369 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.235 |
| InChI Key: | CKKVEDXNWRHQID-UHFFFAOYSA-N |