AC1NKBAW

2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone

Also Known As: 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dimethoxyphenyl)ethanone|2-(4-amino-5-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol-3-ylt hio))-1-(3,4-dimethoxyphenyl)ethan-1-one|2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone|2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone

Molecular Formula	C18H20N6O3S
Molecular Weight	400.13177 g/mol
LogP	1.8629
Topological Polar Surface Area	120.94 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	400.13177
Monoisotopic Mass	400.13177
Heavy Atoms	28
Complexity	1028.5001

Chemical Identifiers

CAS Number	902017-82-7
SMILES	COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4)OC