methyl 3-({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate
methyl 3-({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L282-0701 |
| Compound Name: | methyl 3-({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2851 |
| logD: | 5.285 |
| logSw: | -5.2008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.772 |
| InChI Key: | WFJNYSOACAAVMP-UHFFFAOYSA-N |