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338965-04-1 | 1-(6-chloropyridazin-3-yl)-N-({hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl}methyl)piperidine-4-carboxamide
CAS No: 338965-04-1 Catalog No: AG00IUSY MDL No:MFCD00664529
Product Description
Catalog Number:
AG00IUSY
Chemical Name:
1-(6-chloropyridazin-3-yl)-N-({hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl}methyl)piperidine-4-carboxamide
CAS Number:
338965-04-1
Molecular Formula:
C18H26ClN5O2
Molecular Weight:
379.8843
MDL Number:
MFCD00664529
IUPAC Name:
N-(3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-ylmethyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
InChI:
InChI=1S/C18H26ClN5O2/c19-16-4-5-17(22-21-16)23-9-6-13(7-10-23)18(25)20-12-15-11-14-3-1-2-8-24(14)26-15/h4-5,13-15H,1-3,6-12H2,(H,20,25)
InChI Key:
HWAJWQPJGFVSCF-UHFFFAOYSA-N
SMILES:
Clc1ccc(nn1)N1CCC(CC1)C(=O)NCC1CC2N(O1)CCCC2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.889g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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