N-(2H-1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxamide

N-(2H-1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxamide

CAS: 339106-80-8

Formula: C17H13F3N2O3S

SMILES: FC(F)=C(F)CCSC1=NC=CC=C1C(=O)NC1=CC2=C(OCO2)C=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxamide

InChI: InChI=1S/C17H13F3N2O3S/c18-12(15(19)20)5-7-26-17-11(2-1-6-21-17)16(23)22-10-3-4-13-14(8-10)25-9-24-13/h1-4,6,8H,5,7,9H2,(H,22,23)

Composition: C (53.40%), H (3.43%), F (14.91%), N (7.33%), O (12.55%), S (8.38%)

Molar Mass: 382.36

Atom Count: 39

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.05989795
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	REENIEBZAHBDHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.61
Topological Polar Surface Area	60.45
Polarizability	34.04
Ring Count	3
Rotatable Bond Count	6

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90%	<2 Days	339106-80-8		$51.35-$86.31$51.35$63.37$86.31