N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | J084-0043 |
Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
Molecular Weight: | 443.57 |
Molecular Formula: | C25 H25 N5 O S |
Smiles: | C1CCC(CCNC(CSc2nnc3c4ccccc4nc(c4ccccc4)n23)=O)=CC1 |
Stereo: | ACHIRAL |
logP: | 4.5816 |
logD: | 4.5763 |
logSw: | -4.4047 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.815 |
InChI Key: | WULFBDFLHSCWHZ-UHFFFAOYSA-N |