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1463510-35-1 | N-[4-[4-(4-morpholinyl)-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl]-N'-4-pyridinyl-urea,monohydrochloride
CAS No: 1463510-35-1 Catalog No: AG01EPMZ MDL No:
Product Description
Catalog Number:
AG01EPMZ
Chemical Name:
N-[4-[4-(4-morpholinyl)-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl]-N'-4-pyridinyl-urea,monohydrochloride
CAS Number:
1463510-35-1
Molecular Formula:
C25H29ClN8O3
Molecular Weight:
525.0026
IUPAC Name:
1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea;hydrochloride
InChI:
InChI=1S/C25H28N8O3.ClH/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20;/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34);1H
InChI Key:
JNMURGIZAFELTR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccncc1)Nc1ccc(cc1)c1nc(nc(n1)N1C2COCC1CC2)N1CCOCC1.Cl
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.205g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
525.01g/mol
Monoisotopic Mass:
524.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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