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Home > Other Heterocycles > 338773-04-9
338773-04-9 | 2-phenyl-9,12-dioxa-1,2,4-triazadispiro[4.2.4^{8}.2^{5}]tetradecan-3-one
CAS No: 338773-04-9 Catalog No: AG00IRQH MDL No:MFCD00974195
Product Description
Catalog Number:
AG00IRQH
Chemical Name:
2-phenyl-9,12-dioxa-1,2,4-triazadispiro[4.2.4^{8}.2^{5}]tetradecan-3-one
CAS Number:
338773-04-9
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
MDL Number:
MFCD00974195
IUPAC Name:
3-phenyl-9,12-dioxa-1,3,4-triazadispiro[4.2.48.25]tetradecan-2-one
InChI:
InChI=1S/C15H19N3O3/c19-13-16-14(17-18(13)12-4-2-1-3-5-12)6-8-15(9-7-14)20-10-11-21-15/h1-5,17H,6-11H2,(H,16,19)
InChI Key:
FGXRVKDABMQIBT-UHFFFAOYSA-N
SMILES:
O=C1NC2(NN1c1ccccc1)CCC1(CC2)OCCO1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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