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890091-05-1 | 7-(2-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol
CAS No: 890091-05-1 Catalog No: AG01FMSQ MDL No:MFCD04440726
Product Description
Catalog Number:
AG01FMSQ
Chemical Name:
7-(2-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol
CAS Number:
890091-05-1
Molecular Formula:
C19H15N3OS
Molecular Weight:
333.4069
MDL Number:
MFCD04440726
IUPAC Name:
7-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione
InChI:
InChI=1S/C19H15N3OS/c1-23-16-10-6-5-9-15(16)22-11-14(13-7-3-2-4-8-13)17-18(22)20-12-21-19(17)24/h2-12H,1H3,(H,20,21,24)
InChI Key:
QBDZGLOGVAKLBQ-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1cc(c2c1ncnc2S)c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.409g/mol
Monoisotopic Mass:
333.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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