3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylbutyl)prop-2-enamide

3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylbutyl)prop-2-enamide

CAS: 856243-80-6

Formula: C19H18BrN3O

SMILES: CCCC(NC(=O)C(=CC1=NC(Br)=CC=C1)C#N)C1=CC=CC=C1

IUPAC: 3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylbutyl)prop-2-enamide

InChI: InChI=1/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)

Composition: C (59.39%), H (4.72%), Br (20.79%), N (10.94%), O (4.16%)

Molar Mass: 384.277

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	383.063325
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LIDOPKHSVQTSJY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.85
Topological Polar Surface Area	65.78
Polarizability	37.33
Ring Count	2
Rotatable Bond Count	6

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