AC1NRYG4

2-chloro-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]benzamide

Also Known As: CCG-4658|2-chloro-N-((3-(5,6-dimethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)benzamide|2-chloro-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}benzamide|2-chloro-N-({[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]amino}carbonothioyl)benzamide|2-chloro-N-[[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide|2-chloro-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide|4-({[(2-chlorophenyl)carbonyl]carbamothioyl}amino)-2-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)phenolate

Molecular Formula	C23H18ClN3O3S
Molecular Weight	451.07574 g/mol
LogP	5.59744
Topological Polar Surface Area	87.39 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	451.07574
Monoisotopic Mass	451.07574
Heavy Atoms	31
Complexity	1294.1484

Chemical Identifiers

CAS Number	347338-63-0
SMILES	CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4Cl)O