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Home > Other Heterocycles > 24854-55-5
24854-55-5 | 1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-methylphenyl)-, hydrochloride (1:1)
CAS No: 24854-55-5 Catalog No: AG002PNL MDL No:
Product Description
Catalog Number:
AG002PNL
Chemical Name:
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-methylphenyl)-, hydrochloride (1:1)
CAS Number:
24854-55-5
Molecular Formula:
C23H27ClN2O3S
Molecular Weight:
446.9901
IUPAC Name:
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
InChI:
InChI=1S/C23H26N2O3S.ClH/c1-17-6-8-18(9-7-17)25-22(26)16-29-23(25)10-12-24(13-11-23)14-19-15-27-20-4-2-3-5-21(20)28-19;/h2-9,19H,10-16H2,1H3;1H
InChI Key:
QRUPOGSJBJLBSM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=O)CSC21CCN(CC2)CC1COc2c(O1)cccc2.Cl
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.143g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.99g/mol
Monoisotopic Mass:
446.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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