({6-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methylidene)amino 2-chlorobenzoate

({6-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methylidene)amino 2-chlorobenzoate

CAS: 338967-25-2

Formula: C20H15ClN2O2S

SMILES: CC1=CC=C(SC2=NC=C(C=NOC(=O)C3=C(Cl)C=CC=C3)C=C2)C=C1

IUPAC: ({6-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methylidene)amino 2-chlorobenzoate

InChI: InChI=1S/C20H15ClN2O2S/c1-14-6-9-16(10-7-14)26-19-11-8-15(12-22-19)13-23-25-20(24)17-4-2-3-5-18(17)21/h2-13H,1H3

Composition: C (62.74%), H (3.95%), Cl (9.26%), N (7.32%), O (8.36%), S (8.37%)

Molar Mass: 382.86

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	382.0542766
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LZZVNNFWHAWLDL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.97
Topological Polar Surface Area	51.55
Polarizability	40.45
Ring Count	3
Rotatable Bond Count	6

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90%	<2 Days	338967-25-2		$51.35-$86.31$51.35$63.37$86.31