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methyl 4-[2-(pyridin-2-ylsulfanyl)propanamido]benzoate

methyl 4-[2-(pyridin-2-ylsulfanyl)propanamido]benzoate

Formula: C16H16N2O3S

SMILES: COC(=O)C1=CC=C(NC(=O)C(C)SC2=CC=CC=N2)C=C1

IUPAC: methyl 4-[2-(pyridin-2-ylsulfanyl)propanamido]benzoate

InChI: InChI=1/C16H16N2O3S/c1-11(22-14-5-3-4-10-17-14)15(19)18-13-8-6-12(7-9-13)16(20)21-2/h3-11H,1-2H3,(H,18,19)

Composition: C (60.74%), H (5.10%), N (8.85%), O (15.17%), S (10.13%)

Molar Mass: 316.38

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 316.088163557
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GMRWKOYTLNXLAA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88
Topological Polar Surface Area 68.29
Polarizability 33.23
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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