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82585-84-0 | ETHYL N-[6-AMINO-5-NITRO-4-[[2-OXO-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL]AMINO](PYRIDIN-2-YL)]CARBAMATE
CAS No: 82585-84-0 Catalog No: AG004XN7 MDL No:
Product Description
Catalog Number:
AG004XN7
Chemical Name:
ETHYL N-[6-AMINO-5-NITRO-4-[[2-OXO-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL]AMINO](PYRIDIN-2-YL)]CARBAMATE
CAS Number:
82585-84-0
Molecular Formula:
C17H16F3N5O5
Molecular Weight:
427.3346
IUPAC Name:
ethyl N-[6-amino-5-nitro-4-[[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]amino]pyridin-2-yl]carbamate
InChI:
InChI=1S/C17H16F3N5O5/c1-2-30-16(27)24-13-7-11(14(25(28)29)15(21)23-13)22-8-12(26)9-3-5-10(6-4-9)17(18,19)20/h3-7H,2,8H2,1H3,(H4,21,22,23,24,27)
InChI Key:
COEIQGWAMWNTHQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cc(NCC(=O)c2ccc(cc2)C(F)(F)F)c(c(n1)N)[N+](=O)[O-]
NSC Number:
335423
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
427.34g/mol
Monoisotopic Mass:
427.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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