N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | SC45-0961 |
| Compound Name: | N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Smiles: | COc1ccc(cc1)C1(CCCCC1)C(NCc1c2CN(Cc3ccccc3)C(Cn2nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9268 |
| logD: | 2.9268 |
| logSw: | -3.2978 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.69 |
| InChI Key: | ZJJPOCNCMVAWJJ-UHFFFAOYSA-N |