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Home > Other Heterocycles > 77264-89-2
77264-89-2 | Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 1'-(phenylmethyl)-
CAS No: 77264-89-2 Catalog No: AG00ICT6 MDL No:MFCD02182972
Product Description
Catalog Number:
AG00ICT6
Chemical Name:
Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 1'-(phenylmethyl)-
CAS Number:
77264-89-2
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
MDL Number:
MFCD02182972
IUPAC Name:
1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one
InChI:
InChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChI Key:
VYTXCPHULMDKCP-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCN(CC2)Cc2ccccc2)Oc2c1cccc2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Novel highly potent and selective sigma 1 receptor antagonists related to spipethiane. | Journal of medicinal chemistry 20100211 |
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