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Home > Other Heterocycles > 135637-46-6
135637-46-6 | 2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
CAS No: 135637-46-6 Catalog No: AG006YHA MDL No:
Product Description
Catalog Number:
AG006YHA
Chemical Name:
2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
CAS Number:
135637-46-6
Molecular Formula:
C18H24N2O3
Molecular Weight:
316.3948
IUPAC Name:
5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
InChI:
InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1
InChI Key:
LITNEAPWQHVPOK-FFSVYQOJSA-N
SMILES:
COc1ccc(cc1O[C@H]1CC2CC1CC2)C1CNC(=O)NC1
UNII:
O84FJB49WI
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
316.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.401g/mol
Monoisotopic Mass:
316.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| An arterially perfused decerebrate preparation of Suncus murinus (house musk shrew) for the study of emesis and swallowing. | Experimental physiology 20020901 |
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