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N'-({4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl}methylidene)pyridine-4-carbohydrazide

N'-({4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl}methylidene)pyridine-4-carbohydrazide

CAS: 339018-45-0

Formula: C18H15ClN4O3S

SMILES: COC1=C(OCC2=CN=C(Cl)S2)C=CC(C=NNC(=O)C2=CC=NC=C2)=C1

IUPAC: N'-({4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl}methylidene)pyridine-4-carbohydrazide

InChI: InChI=1S/C18H15ClN4O3S/c1-25-16-8-12(9-22-23-17(24)13-4-6-20-7-5-13)2-3-15(16)26-11-14-10-21-18(19)27-14/h2-10H,11H2,1H3,(H,23,24)

Composition: C (53.67%), H (3.75%), Cl (8.80%), N (13.91%), O (11.91%), S (7.96%)

Molar Mass: 402.85

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 402.0553392
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey RYXRSILKRUOMNX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.64
Topological Polar Surface Area 85.7
Polarizability 38.9
Ring Count 3
Rotatable Bond Count 7

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