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866019-89-8 | (2E)-2-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(pyridin-4-yl)prop-2-enenitrile
CAS No: 866019-89-8 Catalog No: AG00IYAI MDL No:MFCD04125514
Product Description
Catalog Number:
AG00IYAI
Chemical Name:
(2E)-2-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(pyridin-4-yl)prop-2-enenitrile
CAS Number:
866019-89-8
Molecular Formula:
C21H14N4O2S
Molecular Weight:
386.4265
MDL Number:
MFCD04125514
IUPAC Name:
2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylprop-2-enenitrile
InChI:
InChI=1S/C21H14N4O2S/c22-12-15(11-14-5-8-23-9-6-14)19-24-16(13-28-19)7-10-25-20(26)17-3-1-2-4-18(17)21(25)27/h1-6,8-9,11,13H,7,10H2
InChI Key:
BBTPMILWCBTSMM-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccncc1)/c1scc(n1)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.084g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.429g/mol
Monoisotopic Mass:
386.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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