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

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

Formula: C29H34N2O4S

SMILES: COC1=C(OC)C(OC)=C(C=NC2=C(C(=O)NC3=CC=CC=C3)C3=C(CC(CC3)C(C)(C)C)S2)C=C1

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

InChI: InChI=1/C29H34N2O4S/c1-29(2,3)19-13-14-21-23(16-19)36-28(24(21)27(32)31-20-10-8-7-9-11-20)30-17-18-12-15-22(33-4)26(35-6)25(18)34-5/h7-12,15,17,19H,13-14,16H2,1-6H3,(H,31,32)/b30-17+

Composition: C (68.75%), H (6.76%), N (5.53%), O (12.63%), S (6.33%)

Molar Mass: 506.66

Atom Count: 70

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 506.223928757
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey LSRLWEZLFCIUQL-OCSSWDANNA-N
Lipinski's Rule of Five
Molar Refractivity 148.17
Topological Polar Surface Area 69.15
Polarizability 55.15
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H34N2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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