ethyl 4-[({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)methyl]cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)methyl]cyclohexane-1-carboxylate
ethyl 4-[({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)methyl]cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | L282-0206 |
| Compound Name: | ethyl 4-[({4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}carbamamido)methyl]cyclohexane-1-carboxylate |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C25 H32 N6 O3 S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(NCC1CCC(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1271 |
| logD: | 5.127 |
| logSw: | -4.931 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.867 |
| InChI Key: | OIJOMLSJEKVDJU-UHFFFAOYSA-N |