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1164562-29-1 | (2Z)-2-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(4-methylphenyl)prop-2-enenitrile
CAS No: 1164562-29-1 Catalog No: AG00IU6F MDL No:MFCD04125504
Product Description
Catalog Number:
AG00IU6F
Chemical Name:
(2Z)-2-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(4-methylphenyl)prop-2-enenitrile
CAS Number:
1164562-29-1
Molecular Formula:
C23H17N3O2S
Molecular Weight:
399.4650
MDL Number:
MFCD04125504
IUPAC Name:
(Z)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
InChI:
InChI=1S/C23H17N3O2S/c1-15-6-8-16(9-7-15)12-17(13-24)21-25-18(14-29-21)10-11-26-22(27)19-4-2-3-5-20(19)23(26)28/h2-9,12,14H,10-11H2,1H3/b17-12-
InChI Key:
SEIFLYNAEPMMHG-ATVHPVEESA-N
SMILES:
N#C/C(=C/c1ccc(cc1)C)/c1scc(n1)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
399.104g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.468g/mol
Monoisotopic Mass:
399.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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