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Home > Other Heterocycles > 1823257-77-7
1823257-77-7 | 3-[(4-METHYLPYRIMIDIN-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLOR+
CAS No: 1823257-77-7 Catalog No: AG01AT16 MDL No:MFCD26793135
Product Description
Catalog Number:
AG01AT16
Chemical Name:
3-[(4-METHYLPYRIMIDIN-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLOR+
CAS Number:
1823257-77-7
Molecular Formula:
C12H18ClN3S
Molecular Weight:
271.8094
MDL Number:
MFCD26793135
IUPAC Name:
3-(4-methylpyrimidin-2-yl)sulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C12H17N3S.ClH/c1-8-4-5-13-12(14-8)16-11-6-9-2-3-10(7-11)15-9;/h4-5,9-11,15H,2-3,6-7H2,1H3;1H
InChI Key:
HOCOCGOFHAVHJO-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.807g/mol
Monoisotopic Mass:
271.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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