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1142192-00-4 | Carbamic acid, N-[[6-chloro-5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1142192-00-4 Catalog No: AG000AUO MDL No:MFCD11857729
Product Description
Catalog Number:
AG000AUO
Chemical Name:
Carbamic acid, N-[[6-chloro-5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1142192-00-4
Molecular Formula:
C16H24ClN3O3
Molecular Weight:
341.8331
MDL Number:
MFCD11857729
IUPAC Name:
tert-butyl N-[[6-chloro-5-(2,2-dimethylpropanoylamino)pyridin-2-yl]methyl]carbamate
InChI:
InChI=1S/C16H24ClN3O3/c1-15(2,3)13(21)20-11-8-7-10(19-12(11)17)9-18-14(22)23-16(4,5)6/h7-8H,9H2,1-6H3,(H,18,22)(H,20,21)
InChI Key:
FNXWDMLQFVZMRQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(c(n1)Cl)NC(=O)C(C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.836g/mol
Monoisotopic Mass:
341.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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