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tert-butyl N-[(4-{[(tert-butoxycarbonyl)amino]methyl}-5-methoxypyridin-3-yl)methyl]carbamate

tert-butyl N-[(4-{[(tert-butoxycarbonyl)amino]methyl}-5-methoxypyridin-3-yl)methyl]carbamate

CAS: 1142191-99-8

Formula: C18H29N3O5

SMILES: COC1=CN=CC(CNC(=O)OC(C)(C)C)=C1CNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{[4-({[(tert-butoxy)carbonyl]amino}methyl)-5-methoxypyridin-3-yl]methyl}carbamate

InChI: InChI=1S/C18H29N3O5/c1-17(2,3)25-15(22)20-9-12-8-19-11-14(24-7)13(12)10-21-16(23)26-18(4,5)6/h8,11H,9-10H2,1-7H3,(H,20,22)(H,21,23)

Composition: C (58.84%), H (7.96%), N (11.44%), O (21.77%)

Molar Mass: 367.446

Atom Count: 55

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 367.210721046
Formal Charge 0
FSP3 0.61
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KMPFQRUNLAVRPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.06
Topological Polar Surface Area 98.78
Polarizability 37.9
Ring Count 1
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142191-99-8 $253.47-$758.28$253.47$758.28
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