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Home > Thiazole > 1422067-95-5
1422067-95-5 | (4aS,7R,7aR)-7-((2-methylthiazol-4-yl)methoxy)octahydrocyclopenta[b][1,4]oxazine
CAS No: 1422067-95-5 Catalog No: AG01DHRS MDL No:
Product Description
Catalog Number:
AG01DHRS
Chemical Name:
(4aS,7R,7aR)-7-((2-methylthiazol-4-yl)methoxy)octahydrocyclopenta[b][1,4]oxazine
CAS Number:
1422067-95-5
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
IUPAC Name:
(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
InChI:
InChI=1S/C12H18N2O2S/c1-8-14-9(7-17-8)6-16-11-3-2-10-12(11)15-5-4-13-10/h7,10-13H,2-6H2,1H3/t10-,11+,12+/m0/s1
InChI Key:
MUWLEWFQRLRQGV-QJPTWQEYSA-N
SMILES:
Cc1nc(cs1)CO[C@@H]1CC[C@H]2[C@H]1OCCN2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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