ethyl 4-(2-{1H-naphtho[2,3-d]imidazol-2-ylsulfanyl}acetamido)benzoate

ethyl 4-(2-{1H-naphtho[2,3-d]imidazol-2-ylsulfanyl}acetamido)benzoate

Formula: C22H19N3O3S

SMILES: CCOC(=O)C1=CC=C(NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3N2)C=C1

IUPAC: ethyl 4-(2-{1H-naphtho[2,3-d]imidazol-2-ylsulfanyl}acetamido)benzoate

InChI: InChI=1S/C22H19N3O3S/c1-2-28-21(27)14-7-9-17(10-8-14)23-20(26)13-29-22-24-18-11-15-5-3-4-6-16(15)12-19(18)25-22/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)

Composition: C (65.17%), H (4.72%), N (10.36%), O (11.84%), S (7.91%)

Molar Mass: 405.47

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	405.114712658
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KHTIBDAKOKGBJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.93
Topological Polar Surface Area	84.08
Polarizability	45.97
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00