N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbutanamide
N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | L281-0073 |
| Compound Name: | N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbutanamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C18 H21 N5 O S |
| Smiles: | CC(C)CC(Nc1ccc(cc1)Sc1c(C)c(C)nc2ncnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6628 |
| logD: | 3.6627 |
| logSw: | -3.9393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.445 |
| InChI Key: | IUHUKNNVEWLDEF-UHFFFAOYSA-N |