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methyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoate

methyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoate

Formula: C22H21N3O4

SMILES: COC(=O)C(CC1=CNC=N1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: methyl 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-imidazol-4-yl)propanoate

InChI: InChI=1/C22H21N3O4/c1-28-21(26)20(10-14-11-23-13-24-14)25-22(27)29-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,11,13,19-20H,10,12H2,1H3,(H,23,24)(H,25,27)

Composition: C (67.51%), H (5.41%), N (10.74%), O (16.35%)

Molar Mass: 391.427

Atom Count: 50

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 391.153206168
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YJYNUBXPJQOMJC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.34
Topological Polar Surface Area 93.31
Polarizability 42.5
Ring Count 4
Rotatable Bond Count 8

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C22H21N3O4 Quote Only