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860650-50-6 | 2-(4-{8-methyl-8H-thieno[2,3-b]indole-2-carbonyl}piperazin-1-yl)ethan-1-ol
CAS No: 860650-50-6 Catalog No: AG00INTF MDL No:MFCD03787405
Product Description
Catalog Number:
AG00INTF
Chemical Name:
2-(4-{8-methyl-8H-thieno[2,3-b]indole-2-carbonyl}piperazin-1-yl)ethan-1-ol
CAS Number:
860650-50-6
Molecular Formula:
C18H21N3O2S
Molecular Weight:
343.4432
MDL Number:
MFCD03787405
IUPAC Name:
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthieno[2,3-b]indol-2-yl)methanone
InChI:
InChI=1S/C18H21N3O2S/c1-19-15-5-3-2-4-13(15)14-12-16(24-18(14)19)17(23)21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11H2,1H3
InChI Key:
VSFDMARLKYYWMU-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C(=O)c1cc2c(s1)n(c1c2cccc1)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.445g/mol
Monoisotopic Mass:
343.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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