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88808-37-1

88808-37-1 | 1,3-Diazaspiro[4.5]decan-4-one, 3-(3,5-dichlorophenyl)-2-thioxo-

CAS No: 88808-37-1 Catalog No: AG004CJX MDL No:

Product Description

Catalog Number:
AG004CJX
Chemical Name:
1,3-Diazaspiro[4.5]decan-4-one, 3-(3,5-dichlorophenyl)-2-thioxo-
CAS Number:
88808-37-1
Molecular Formula:
C14H14Cl2N2OS
Molecular Weight:
329.2448
IUPAC Name:
3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C14H14Cl2N2OS/c15-9-6-10(16)8-11(7-9)18-12(19)14(17-13(18)20)4-2-1-3-5-14/h6-8H,1-5H2,(H,17,20)
InChI Key:
ACLLLKXSCQYQSS-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)N1C(=S)NC2(C1=O)CCCCC2

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.02g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.239g/mol
Monoisotopic Mass:
328.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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