2-[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide

2-[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide

Formula: C16H13ClN4O3S

SMILES: CC1=CC=C(C=C1NC(=O)CSC1=NC2=CC(Cl)=CC=C2N1)[N+]([O-])=O

IUPAC: 2-[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide

InChI: InChI=1S/C16H13ClN4O3S/c1-9-2-4-11(21(23)24)7-13(9)18-15(22)8-25-16-19-12-5-3-10(17)6-14(12)20-16/h2-7H,8H2,1H3,(H,18,22)(H,19,20)

Composition: C (51.00%), H (3.48%), Cl (9.41%), N (14.87%), O (12.74%), S (8.51%)

Molar Mass: 376.82

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	376.0396892
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OQBGFXGZBSCCMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.88
Topological Polar Surface Area	100.92
Polarizability	37.71
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13ClN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00