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N-[(4-methoxyphenyl)methyl]-3-(thiophen-2-ylformohydrazido)but-2-enamide

N-[(4-methoxyphenyl)methyl]-3-(thiophen-2-ylformohydrazido)but-2-enamide

Formula: C17H19N3O3S

SMILES: COC1=CC=C(CNC(=O)C=C(C)NNC(=O)C2=CC=CS2)C=C1

IUPAC: N-[(4-methoxyphenyl)methyl]-3-[(thiophen-2-yl)formohydrazido]but-2-enamide

InChI: InChI=1S/C17H19N3O3S/c1-12(19-20-17(22)15-4-3-9-24-15)10-16(21)18-11-13-5-7-14(23-2)8-6-13/h3-10,19H,11H2,1-2H3,(H,18,21)(H,20,22)

Composition: C (59.11%), H (5.54%), N (12.17%), O (13.90%), S (9.28%)

Molar Mass: 345.42

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 345.114712658
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey NNTYXAAUFFIHTE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.46
Topological Polar Surface Area 79.46
Polarizability 35.28
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H19N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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