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methyl 2-methoxy-5-({[(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)benzoate

methyl 2-methoxy-5-({[(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)benzoate

CAS: 1391712-57-4

Formula: C21H23N3O3

SMILES: COC(=O)C1=C(OC)C=CC(CN[C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)=C1

IUPAC: methyl 2-methoxy-5-({[(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)benzoate

InChI: InChI=1S/C21H23N3O3/c1-14(20-23-13-18(24-20)16-7-5-4-6-8-16)22-12-15-9-10-19(26-2)17(11-15)21(25)27-3/h4-11,13-14,22H,12H2,1-3H3,(H,23,24)/t14-/m0/s1

Composition: C (69.02%), H (6.34%), N (11.50%), O (13.13%)

Molar Mass: 365.433

Atom Count: 50

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 365.173941613
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YYKCFFFHGRUDFT-AWEZNQCLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.95
Topological Polar Surface Area 76.24
Polarizability 41.68
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1391712-57-4 $25.50-$75.48$25.50$41.82$67.32$75.48
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