N,N-diethyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N,N-diethyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N,N-diethyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | J084-0242 |
Compound Name: | N,N-diethyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
Molecular Weight: | 391.49 |
Molecular Formula: | C21 H21 N5 O S |
Smiles: | CCN(CC)C(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
Stereo: | ACHIRAL |
logP: | 3.8986 |
logD: | 3.8932 |
logSw: | -3.8567 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.986 |
InChI Key: | CJYYPLSQKHJUKY-UHFFFAOYSA-N |