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88735-15-3 | 4H-1-Benzothiopyran-4-one, 3-methoxy-2-(1-piperidinyl)-
CAS No: 88735-15-3 Catalog No: AG004682 MDL No:
Product Description
Catalog Number:
AG004682
Chemical Name:
4H-1-Benzothiopyran-4-one, 3-methoxy-2-(1-piperidinyl)-
CAS Number:
88735-15-3
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
IUPAC Name:
3-methoxy-2-piperidin-1-ylthiochromen-4-one
InChI:
InChI=1S/C15H17NO2S/c1-18-14-13(17)11-7-3-4-8-12(11)19-15(14)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChI Key:
OKQTVAUAVLGOLY-UHFFFAOYSA-N
SMILES:
COc1c(sc2c(c1=O)cccc2)N1CCCCC1
Properties
Complexity:
388
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:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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