methyl 5-(2-chloro-5-nitrobenzamido)-2-(morpholin-4-yl)benzoate

methyl 5-(2-chloro-5-nitrobenzamido)-2-(morpholin-4-yl)benzoate

Formula: C19H18ClN3O6

SMILES: COC(=O)C1=CC(NC(=O)C2=CC(=CC=C2Cl)[N+]([O-])=O)=CC=C1N1CCOCC1

IUPAC: methyl 5-(2-chloro-5-nitrobenzamido)-2-(morpholin-4-yl)benzoate

InChI: InChI=1S/C19H18ClN3O6/c1-28-19(25)15-10-12(2-5-17(15)22-6-8-29-9-7-22)21-18(24)14-11-13(23(26)27)3-4-16(14)20/h2-5,10-11H,6-9H2,1H3,(H,21,24)

Composition: C (54.36%), H (4.32%), Cl (8.44%), N (10.01%), O (22.87%)

Molar Mass: 419.82

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	419.088413
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZZPDJXNKOGGHMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.25
Topological Polar Surface Area	111.01
Polarizability	39.73
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18ClN3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00