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(2Z)-3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

(2Z)-3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

Formula: C23H27N3O4S

SMILES: CCCOC1=CC=C(NC(=O)C2CC(=O)N(CC)C(S2)=NC2=CC=C(OC)C=C2)C=C1

IUPAC: (2Z)-3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

InChI: InChI=1/C23H27N3O4S/c1-4-14-30-19-12-8-16(9-13-19)24-22(28)20-15-21(27)26(5-2)23(31-20)25-17-6-10-18(29-3)11-7-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,28)/b25-23-

Composition: C (62.56%), H (6.16%), N (9.52%), O (14.49%), S (7.26%)

Molar Mass: 441.55

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 441.172227535
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ATIKYYVGRUAJFJ-BZZOAKBMNA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.94
Topological Polar Surface Area 80.23
Polarizability 47.01
Ring Count 3
Rotatable Bond Count 8

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H27N3O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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