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Home > Other Heterocycles > 6959-94-0
6959-94-0 | 7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane,3,11-bis(phenylmethyl)-
CAS No: 6959-94-0 Catalog No: AG005WB8 MDL No:
Product Description
Catalog Number:
AG005WB8
Chemical Name:
7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane,3,11-bis(phenylmethyl)-
CAS Number:
6959-94-0
Molecular Formula:
C24H30N2S3
Molecular Weight:
442.7034
IUPAC Name:
3,11-dibenzyl-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane
InChI:
InChI=1S/C24H30N2S3/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)27-24(29-28-23)13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-10H,11-20H2
InChI Key:
XIXYUPPMRYETOB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC2(CC1)SSC1(S2)CCN(CC1)Cc1ccccc1
NSC Number:
69574
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.157g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.698g/mol
Monoisotopic Mass:
442.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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