ethyl 4-[2-({4-oxo-2-[4-(propan-2-yl)phenyl]-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-oxo-2-[4-(propan-2-yl)phenyl]-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-oxo-2-[4-(propan-2-yl)phenyl]-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl}sulfanyl)acetamido]benzoate
Compound characteristics
Compound ID: | F424-0390 |
Compound Name: | ethyl 4-[2-({4-oxo-2-[4-(propan-2-yl)phenyl]-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl}sulfanyl)acetamido]benzoate |
Molecular Weight: | 491.57 |
Molecular Formula: | C25 H25 N5 O4 S |
Smiles: | CCOC(c1ccc(cc1)NC(CSC1=NNC(c2cc(c3ccc(cc3)C(C)C)nn12)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4264 |
logD: | 5.4248 |
logSw: | -5.3974 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.217 |
InChI Key: | SOJMHLSMTVOTMG-UHFFFAOYSA-N |