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6-methyl-N-phenyl-2-[(E)-(phenylmethylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-phenyl-2-[(E)-(phenylmethylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C23H22N2OS

SMILES: CC1CCC2=C(C1)SC(N=CC1=CC=CC=C1)=C2C(=O)NC1=CC=CC=C1

IUPAC: 6-methyl-N-phenyl-2-[(E)-(phenylmethylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C23H22N2OS/c1-16-12-13-19-20(14-16)27-23(24-15-17-8-4-2-5-9-17)21(19)22(26)25-18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3,(H,25,26)/b24-15+

Composition: C (73.77%), H (5.92%), N (7.48%), O (4.27%), S (8.56%)

Molar Mass: 374.5

Atom Count: 49

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 374.14528451
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FMBLAAXKAHEDLH-BUVRLJJBNA-N
Lipinski's Rule of Five
Molar Refractivity 115.16
Topological Polar Surface Area 41.46
Polarizability 42.07
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H22N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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