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328108-47-0 | 3-(4-PHENYL-THIAZOL-2-YLMETHYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3+
CAS No: 328108-47-0 Catalog No: AG019GV9 MDL No:MFCD06326232
Product Description
Catalog Number:
AG019GV9
Chemical Name:
3-(4-PHENYL-THIAZOL-2-YLMETHYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3+
CAS Number:
328108-47-0
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
MDL Number:
MFCD06326232
IUPAC Name:
4-phenyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C17H18N4S/c1-3-7-13(8-4-1)14-12-22-17(18-14)11-16-20-19-15-9-5-2-6-10-21(15)16/h1,3-4,7-8,12H,2,5-6,9-11H2
InChI Key:
RFVMMSABOJTQPK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1csc(n1)Cc1nnc2n1CCCCC2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.419g/mol
Monoisotopic Mass:
310.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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