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

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

Formula: C27H30N2O5S

SMILES: COC1=CC=CC=C1NC(=O)C1=C(SC2=C1CCC(C)C2)N=CC1=C(OC)C(OC)=C(OC)C=C1

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

InChI: InChI=1/C27H30N2O5S/c1-16-10-12-18-22(14-16)35-27(23(18)26(30)29-19-8-6-7-9-20(19)31-2)28-15-17-11-13-21(32-3)25(34-5)24(17)33-4/h6-9,11,13,15-16H,10,12,14H2,1-5H3,(H,29,30)/b28-15+

Composition: C (65.57%), H (6.11%), N (5.66%), O (16.17%), S (6.48%)

Molar Mass: 494.61

Atom Count: 65

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 494.187543248
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey KLOGRBCNCQVVRH-RWPZCVJINA-N
Lipinski's Rule of Five
Molar Refractivity 141.01
Topological Polar Surface Area 78.38
Polarizability 52.16
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H30N2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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