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methyl 2-[2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamido]-3-phenylpropanoate

methyl 2-[2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamido]-3-phenylpropanoate

Formula: C19H25N3O3S2

SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC1=NC(C)=C(CCSC)N1

IUPAC: methyl 2-[2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamido]-3-phenylpropanoate

InChI: InChI=1/C19H25N3O3S2/c1-13-15(9-10-26-3)22-19(20-13)27-12-17(23)21-16(18(24)25-2)11-14-7-5-4-6-8-14/h4-8,16H,9-12H2,1-3H3,(H,20,22)(H,21,23)

Composition: C (56.00%), H (6.18%), N (10.31%), O (11.78%), S (15.73%)

Molar Mass: 407.55

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 407.133734025
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JNVXIHRTMMJJRU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.99
Topological Polar Surface Area 84.08
Polarizability 43.11
Ring Count 2
Rotatable Bond Count 11

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H25N3O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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