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7-[(2-methylpropanoyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)heptanamide

7-[(2-methylpropanoyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)heptanamide

CAS: 848354-66-5

Formula: C20H26N2O2S2

SMILES: CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C1=CC=CC=C1

IUPAC: 7-[(2-methylpropanoyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)heptanamide

InChI: InChI=1S/C20H26N2O2S2/c1-15(2)19(24)25-13-9-4-3-8-12-18(23)22-20-21-17(14-26-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,21,22,23)

Composition: C (61.51%), H (6.71%), N (7.17%), O (8.19%), S (16.42%)

Molar Mass: 390.56

Atom Count: 52

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 390.143570433
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MDYDGUOQFUQOGE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 110.02
Topological Polar Surface Area 59.06
Polarizability 43.69
Ring Count 2
Rotatable Bond Count 11

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