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2-[(E)-({4-[(2-cyanophenyl)methoxy]phenyl}methylidene)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[(E)-({4-[(2-cyanophenyl)methoxy]phenyl}methylidene)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C29H25N3O3S

SMILES: O=C(NCC1=CC=CO1)C1=C(SC2=C1CCCC2)N=CC1=CC=C(OCC2=CC=CC=C2C#N)C=C1

IUPAC: 2-[(E)-({4-[(2-cyanophenyl)methoxy]phenyl}methylidene)amino]-N-[(furan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1S/C29H25N3O3S/c30-16-21-6-1-2-7-22(21)19-35-23-13-11-20(12-14-23)17-32-29-27(25-9-3-4-10-26(25)36-29)28(33)31-18-24-8-5-15-34-24/h1-2,5-8,11-15,17H,3-4,9-10,18-19H2,(H,31,33)/b32-17+

Composition: C (70.28%), H (5.08%), N (8.48%), O (9.68%), S (6.47%)

Molar Mass: 495.6

Atom Count: 61

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 495.161662851
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ROMRUYPFXDEUIW-VTNSRFBWSA-N
Lipinski's Rule of Five
Molar Refractivity 142.85
Topological Polar Surface Area 87.62
Polarizability 52.68
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H25N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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