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

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

Formula: C28H33N3O4S

SMILES: COC1=CC=C(C=NC2=C(C(=O)NC3=CC=C(C=C3)N(C)C)C3=C(CC(C)CC3)S2)C(OC)=C1OC

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

InChI: InChI=1/C28H33N3O4S/c1-17-7-13-21-23(15-17)36-28(24(21)27(32)30-19-9-11-20(12-10-19)31(2)3)29-16-18-8-14-22(33-4)26(35-6)25(18)34-5/h8-12,14,16-17H,7,13,15H2,1-6H3,(H,30,32)/b29-16+

Composition: C (66.25%), H (6.55%), N (8.28%), O (12.61%), S (6.32%)

Molar Mass: 507.65

Atom Count: 69

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 507.219177729
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey WSXCWDAFXWMKLO-MUFRIFMGNA-N
Lipinski's Rule of Five
Molar Refractivity 148.97
Topological Polar Surface Area 72.39
Polarizability 54.45
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H33N3O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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