2-{[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-nitrophenyl)acetamide

2-{[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-nitrophenyl)acetamide

Formula: C18H16ClN5O5S

SMILES: COC1=CC=C(C=C1NC(=O)CSC1=NNC(=N1)C1=CC(Cl)=CC=C1OC)[N+]([O-])=O

IUPAC: 2-{[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-nitrophenyl)acetamide

InChI: InChI=1S/C18H16ClN5O5S/c1-28-14-5-3-10(19)7-12(14)17-21-18(23-22-17)30-9-16(25)20-13-8-11(24(26)27)4-6-15(13)29-2/h3-8H,9H2,1-2H3,(H,20,25)(H,21,22,23)

Composition: C (48.06%), H (3.59%), Cl (7.88%), N (15.57%), O (17.78%), S (7.13%)

Molar Mass: 449.87

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	449.0560675
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	JXPSAKSCGDXKOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.29
Topological Polar Surface Area	132.27
Polarizability	42.97
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16ClN5O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00