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Home > Other Heterocycles > 181520-02-5
181520-02-5 | 2,4-Diazaspiro[5.5]undecane-1,5,9-trione, 7,11-diphenyl-3-thioxo-
CAS No: 181520-02-5 Catalog No: AG0022XW MDL No:
Product Description
Catalog Number:
AG0022XW
Chemical Name:
2,4-Diazaspiro[5.5]undecane-1,5,9-trione, 7,11-diphenyl-3-thioxo-
CAS Number:
181520-02-5
Molecular Formula:
C21H18N2O3S
Molecular Weight:
378.4442
IUPAC Name:
7,11-diphenyl-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
InChI:
InChI=1S/C21H18N2O3S/c24-15-11-16(13-7-3-1-4-8-13)21(18(25)22-20(27)23-19(21)26)17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2,(H2,22,23,25,26,27)
InChI Key:
FXBREMWELLLXKZ-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)NC(=O)C21C(CC(=O)CC2c1ccccc1)c1ccccc1
NSC Number:
698284
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.104g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.446g/mol
Monoisotopic Mass:
378.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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