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({6-[(4-chlorophenyl)sulfanyl]pyridin-3-yl}methylidene)amino 4-methoxybenzoate

({6-[(4-chlorophenyl)sulfanyl]pyridin-3-yl}methylidene)amino 4-methoxybenzoate

CAS: 338967-10-5

Formula: C20H15ClN2O3S

SMILES: COC1=CC=C(C=C1)C(=O)ON=CC1=CN=C(SC2=CC=C(Cl)C=C2)C=C1

IUPAC: ({6-[(4-chlorophenyl)sulfanyl]pyridin-3-yl}methylidene)amino 4-methoxybenzoate

InChI: InChI=1S/C20H15ClN2O3S/c1-25-17-7-3-15(4-8-17)20(24)26-23-13-14-2-11-19(22-12-14)27-18-9-5-16(21)6-10-18/h2-13H,1H3

Composition: C (60.23%), H (3.79%), Cl (8.89%), N (7.02%), O (12.03%), S (8.04%)

Molar Mass: 398.86

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 398.0491912
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey GQGKASLRILDLQI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 108.39
Topological Polar Surface Area 60.78
Polarizability 41.19
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338967-10-5 $51.35-$86.31$51.35$63.37$86.31
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