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Home > Other Heterocycles > 861209-91-8
861209-91-8 | N-(4-chlorophenyl)-1,4,9-trioxa-12-azadispiro[4.2.4^{8}.2^{5}]tetradecane-12-carboxamide
CAS No: 861209-91-8 Catalog No: AG00ISEN MDL No:MFCD03618018
Product Description
Catalog Number:
AG00ISEN
Chemical Name:
N-(4-chlorophenyl)-1,4,9-trioxa-12-azadispiro[4.2.4^{8}.2^{5}]tetradecane-12-carboxamide
CAS Number:
861209-91-8
Molecular Formula:
C17H21ClN2O4
Molecular Weight:
352.8126
MDL Number:
MFCD03618018
IUPAC Name:
N-(4-chlorophenyl)-4,9,12-trioxa-1-azadispiro[4.2.48.25]tetradecane-1-carboxamide
InChI:
InChI=1S/C17H21ClN2O4/c18-13-1-3-14(4-2-13)19-15(21)20-9-10-22-16(20)5-7-17(8-6-16)23-11-12-24-17/h1-4H,5-12H2,(H,19,21)
InChI Key:
PMIDTGOZNPHDAR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)N1CCOC21CCC1(CC2)OCCO1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.815g/mol
Monoisotopic Mass:
352.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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