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20029-36-1 | 1,2,4-Triazine-3,5(2H,4H)-dione, 4-(diphenylmethyl)-2-methyl-6-[(phenylmethyl)thio]-
CAS No: 20029-36-1 Catalog No: AG002CNR MDL No:
Product Description
Catalog Number:
AG002CNR
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 4-(diphenylmethyl)-2-methyl-6-[(phenylmethyl)thio]-
CAS Number:
20029-36-1
Molecular Formula:
C24H21N3O2S
Molecular Weight:
415.5074
IUPAC Name:
4-benzhydryl-6-benzylsulfanyl-2-methyl-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C24H21N3O2S/c1-26-24(29)27(23(28)22(25-26)30-17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChI Key:
VDGUUAFCCIKHPG-UHFFFAOYSA-N
SMILES:
O=c1c(SCc2ccccc2)nn(c(=O)n1C(c1ccccc1)c1ccccc1)C
NSC Number:
107701
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.135g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.511g/mol
Monoisotopic Mass:
415.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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