200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 133364-63-3
133364-63-3 | 2H-Pyrido[1,2-a]-1,3,5-triazine-2,4(3H)-dione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-, (2Z)-2-butenedioate (1:1)
CAS No: 133364-63-3 Catalog No: AG0014QF MDL No:
Product Description
Catalog Number:
AG0014QF
Chemical Name:
2H-Pyrido[1,2-a]-1,3,5-triazine-2,4(3H)-dione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-, (2Z)-2-butenedioate (1:1)
CAS Number:
133364-63-3
Molecular Formula:
C25H29FN4O7
Molecular Weight:
516.5188
IUPAC Name:
(Z)-but-2-enedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C21H25FN4O3.C4H4O4/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29;5-3(6)1-2-4(7)8/h4-7,16H,1-3,8-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
GVSYIVYQDRVBAL-BTJKTKAUSA-N
SMILES:
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)nc2n(c1=O)CCCC2.OC(=O)/C=C\C(=O)O
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
516.202g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
516.526g/mol
Monoisotopic Mass:
516.202g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.