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ethyl 2-[(2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate

ethyl 2-[(2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate

Formula: C20H24N2O7S

SMILES: CCOC(=O)CSCCOC1=CC=C(C=C2C(=O)N(C)C(=O)N(C)C2=O)C=C1OC

IUPAC: ethyl 2-[(2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate

InChI: InChI=1S/C20H24N2O7S/c1-5-28-17(23)12-30-9-8-29-15-7-6-13(11-16(15)27-4)10-14-18(24)21(2)20(26)22(3)19(14)25/h6-7,10-11H,5,8-9,12H2,1-4H3

Composition: C (55.04%), H (5.54%), N (6.42%), O (25.66%), S (7.35%)

Molar Mass: 436.48

Atom Count: 54

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 436.130422295
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey QFHWUXKSOCBVBH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.72
Topological Polar Surface Area 102.45
Polarizability 42.92
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H24N2O7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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