N-{4-[(5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[(5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[(5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L281-0196 |
| Compound Name: | N-{4-[(5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | CCCc1cc(n2c(ncn2)n1)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6216 |
| logD: | 4.6216 |
| logSw: | -4.4361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.645 |
| InChI Key: | MROOEQMNYHMKEU-UHFFFAOYSA-N |