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2-amino-6-tert-butyl-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-6-tert-butyl-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS: 679798-35-7

Formula: C19H23ClN2OS

SMILES: CC(C)(C)C1CCC2=C(C1)SC(N)=C2C(=O)NC1=CC=C(Cl)C=C1

IUPAC: 2-amino-6-tert-butyl-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C19H23ClN2OS/c1-19(2,3)11-4-9-14-15(10-11)24-17(21)16(14)18(23)22-13-7-5-12(20)6-8-13/h5-8,11H,4,9-10,21H2,1-3H3,(H,22,23)

Composition: C (62.88%), H (6.39%), Cl (9.77%), N (7.72%), O (4.41%), S (8.83%)

Molar Mass: 362.92

Atom Count: 47

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 362.1219622
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XOSXEQXGZGALIS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 102.96
Topological Polar Surface Area 55.12
Polarizability 38.44
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 679798-35-7 $134.76$134.76
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