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N-(4-methoxyphenyl)-N-[(1E,3E)-5-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]penta-1,3-dien-1-yl]acetamide

N-(4-methoxyphenyl)-N-[(1E,3E)-5-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]penta-1,3-dien-1-yl]acetamide

Formula: C20H20N2O3S2

SMILES: COC1=CC=C(C=C1)N(C=CC=CC=C1/SC(=S)N(CC=C)C1=O)C(C)=O

IUPAC: N-(4-methoxyphenyl)-N-[(1E,3E)-5-[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]penta-1,3-dien-1-yl]acetamide

InChI: InChI=1S/C20H20N2O3S2/c1-4-13-22-19(24)18(27-20(22)26)8-6-5-7-14-21(15(2)23)16-9-11-17(25-3)12-10-16/h4-12,14H,1,13H2,2-3H3/b6-5+,14-7+,18-8-

Composition: C (59.98%), H (5.03%), N (6.99%), O (11.98%), S (16.01%)

Molar Mass: 400.51

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 400.09153486
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BWNKJPPJEXACJU-VCGOOPIJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.36
Topological Polar Surface Area 49.85
Polarizability 44.04
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H20N2O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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