methyl 2-({[(3-chloro-4-methoxyphenyl)formamido]methanethioyl}amino)benzoate

methyl 2-({[(3-chloro-4-methoxyphenyl)formamido]methanethioyl}amino)benzoate

Formula: C17H15ClN2O4S

SMILES: COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C1=CC=C(OC)C(Cl)=C1

IUPAC: methyl 2-({[(3-chloro-4-methoxyphenyl)formamido]methanethioyl}amino)benzoate

InChI: InChI=1S/C17H15ClN2O4S/c1-23-14-8-7-10(9-12(14)18)15(21)20-17(25)19-13-6-4-3-5-11(13)16(22)24-2/h3-9H,1-2H3,(H2,19,20,21,25)

Composition: C (53.90%), H (3.99%), Cl (9.36%), N (7.39%), O (16.89%), S (8.46%)

Molar Mass: 378.83

Atom Count: 40

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 378.0441058
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CBNXOGUYHLPIRY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.12
Topological Polar Surface Area 76.66
Polarizability 38.03
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15ClN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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