AC1NYVAD

2-[(5Z)-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Also Known As: 2-(5-((3-(4-(Hexyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|(Z)-2-(5-((3-(4-(hexyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|(5-((3-(4-(Hexyloxy)phenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)acetic acid|[(5Z)-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|[(5Z)-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|[5-({3-[4-(HEXYLOXY)PHENYL]-1-PHENYL-1H-PYRAZOL-4-YL}METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]ACETIC ACID|2-[(5Z)-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid|664-199-1

Molecular Formula	C27H27N3O4S2
Molecular Weight	521.1443 g/mol
LogP	5.7842
Topological Polar Surface Area	84.66 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	521.1443
Monoisotopic Mass	521.1443
Heavy Atoms	36
Complexity	1269.9307

Chemical Identifiers

CAS Number	955893-04-6
SMILES	CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4