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methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate

methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate

Formula: C19H25N3O3S

SMILES: COC(=O)C(NC(=O)CSC1=NC(C)=C(CC(C)C)N1)C1=CC=CC=C1

IUPAC: methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate

InChI: InChI=1/C19H25N3O3S/c1-12(2)10-15-13(3)20-19(21-15)26-11-16(23)22-17(18(24)25-4)14-8-6-5-7-9-14/h5-9,12,17H,10-11H2,1-4H3,(H,20,21)(H,22,23)

Composition: C (60.78%), H (6.71%), N (11.19%), O (12.78%), S (8.54%)

Molar Mass: 375.49

Atom Count: 51

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 375.161662851
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JHVVOJXMJSLNKQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.82
Topological Polar Surface Area 84.08
Polarizability 40.04
Ring Count 2
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H25N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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