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1142191-99-8 | Carbamic acid, N-[[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-5-methoxy-4-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1142191-99-8 Catalog No: AG000AUP MDL No:MFCD11857727
Product Description
Catalog Number:
AG000AUP
Chemical Name:
Carbamic acid, N-[[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-5-methoxy-4-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1142191-99-8
Molecular Formula:
C18H29N3O5
Molecular Weight:
367.4400
MDL Number:
MFCD11857727
IUPAC Name:
tert-butyl N-[[3-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-4-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)
InChI Key:
KMPFQRUNLAVRPO-UHFFFAOYSA-N
SMILES:
COc1cncc(c1CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.211g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.446g/mol
Monoisotopic Mass:
367.211g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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