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166665-94-7 | 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3R)-
CAS No: 166665-94-7 Catalog No: AG001WVO MDL No:
Product Description
Catalog Number:
AG001WVO
Chemical Name:
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3R)-
CAS Number:
166665-94-7
Molecular Formula:
C16H15FN2O4
Molecular Weight:
318.2997
IUPAC Name:
(2R)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m1/s1
InChI Key:
XAGMUUZPGZWTRP-SSDOTTSWSA-N
SMILES:
OC(=O)c1cn2[C@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
318.102g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.304g/mol
Monoisotopic Mass:
318.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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