(E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
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(E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
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CAS No:
577791-65-2
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Formula:
C17H11N3O2S
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Chemical Name:
(E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
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Synonyms:
577791-65-2;(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile;(2E)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile;ZINC531794;STK557744;AKOS002181197;(E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile;ST50071441;VU0510217-1;F3139-1298;(2E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile;(2E)-3-(2H-benzo[3,4-d]1,3-dioxolen-5-ylamino)-2-benzothiazol-2-ylprop-2-eneni trile
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CAS No:
(E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile Basic Attributes
321.4 g/mol
321.05719778 g/mol
Computed Properties
Molecular Weight:321.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:321.05719778
Monoisotopic Mass:321.05719778
Topological Polar Surface Area:95.4
Heavy Atom Count:23
Complexity:517
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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