AC1NQ9LI

4-(azepan-1-ylsulfonyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide

Also Known As: Oprea1_351194|F1105-0406|4-(azepane-1-sulfonyl)-N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide|4-(azepan-1-ylsulfonyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide|(Z)-4-(azepan-1-ylsulfonyl)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)benzamide|4-(azepan-1-ylsulfonyl)-N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)benzamide

Molecular Formula	C22H25N3O5S3
Molecular Weight	507.09564 g/mol
LogP	2.9491
Topological Polar Surface Area	105.88 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	507.09564
Monoisotopic Mass	507.09564
Heavy Atoms	33
Complexity	1476.2542

Chemical Identifiers

CAS Number	683237-90-3
SMILES	CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4