N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-1-(4-chlorobenzene-1-sulfonyl)cyclopropane-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-chlorobenzene-1-sulfonyl)cyclopropane-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-chlorobenzene-1-sulfonyl)cyclopropane-1-carboxamide
Compound characteristics
Compound ID: | SC45-0975 |
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-chlorobenzene-1-sulfonyl)cyclopropane-1-carboxamide |
Molecular Weight: | 499.97 |
Molecular Formula: | C23 H22 Cl N5 O4 S |
Smiles: | C1CC1(C(NCc1c2CN(Cc3ccccc3)C(Cn2nn1)=O)=O)S(c1ccc(cc1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3397 |
logD: | 1.3397 |
logSw: | -2.6847 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.249 |
InChI Key: | WDMFNSRBPGHTHK-UHFFFAOYSA-N |