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1422066-14-5 | 7-((thiazol-2-ylmethoxy)methyl)octahydrocyclopenta[b][1,4]oxazine
CAS No: 1422066-14-5 Catalog No: AG01DHRW MDL No:
Product Description
Catalog Number:
AG01DHRW
Chemical Name:
7-((thiazol-2-ylmethoxy)methyl)octahydrocyclopenta[b][1,4]oxazine
CAS Number:
1422066-14-5
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
IUPAC Name:
7-(1,3-thiazol-2-ylmethoxymethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
InChI:
InChI=1S/C12H18N2O2S/c1-2-10-12(16-5-3-13-10)9(1)7-15-8-11-14-4-6-17-11/h4,6,9-10,12-13H,1-3,5,7-8H2
InChI Key:
KZPUTSPATLCNNS-UHFFFAOYSA-N
SMILES:
C1CNC2C(O1)C(COCc1nccs1)CC2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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