5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

CAS: 73590-85-9

Formula: C17H19N3O2S

SMILES: COC1=CC=C2NC(SCC3=NC=C(C)C(OC)=C3C)=NC2=C1

IUPAC: 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

InChI: InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)

Composition: C (61.98%), H (5.81%), N (12.76%), O (9.71%), S (9.73%)

Molar Mass: 329.42

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	329.119798038
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XURCIPRUUASYLR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.29
Topological Polar Surface Area	60.03
Polarizability	36.81
Ring Count	3
Rotatable Bond Count	5

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