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Home > Other Heterocycles > 85976-50-7
85976-50-7 | 1-Oxa-4-azaspiro[4.5]dec-3-en-2-one, 3-[(phenylmethyl)thio]-
CAS No: 85976-50-7 Catalog No: AG004VO4 MDL No:
Product Description
Catalog Number:
AG004VO4
Chemical Name:
1-Oxa-4-azaspiro[4.5]dec-3-en-2-one, 3-[(phenylmethyl)thio]-
CAS Number:
85976-50-7
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
IUPAC Name:
3-benzylsulfanyl-1-oxa-4-azaspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C15H17NO2S/c17-14-13(19-11-12-7-3-1-4-8-12)16-15(18-14)9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-11H2
InChI Key:
DKNIWYPTZXSBOM-UHFFFAOYSA-N
SMILES:
O=C1OC2(N=C1SCc1ccccc1)CCCCC2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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