AC1N77UF

N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide

Also Known As: Oprea1_136748|F0417-1503|N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide|N-(5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide|N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide|N-[5-(benzothiazol-2-ylcarbamoylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Molecular Formula	C18H12N6O4S3
Molecular Weight	472.0082 g/mol
LogP	4.0391
Topological Polar Surface Area	140.01 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	472.0082
Monoisotopic Mass	472.0082
Heavy Atoms	31
Complexity	1255.0447

Chemical Identifiers

CAS Number	392299-91-1
SMILES	C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]