ethyl 4-({4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate
ethyl 4-({4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L282-0034 |
| Compound Name: | ethyl 4-({4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)benzoate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C22 H20 N6 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(Nc1ccc(cc1)Sc1cc(C)nc2ncnn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7113 |
| logD: | 4.7113 |
| logSw: | -4.3791 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.806 |
| InChI Key: | BBEDENUDEFHVTN-UHFFFAOYSA-N |