AC1M007I
(E)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile
Also Known As: VU0510218-1|(E)-2-(benzo[d]thiazol-2-yl)-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)acrylonitrile|F3139-1299|(2E)-2-(1,3-benzothiazol-2-yl)-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]prop-2-enenitrile|(E)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile|(2E)-3-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylamino)-2-benzothiazol-2-ylprop-2-enen itrile|(2E)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07285 g/mol |
| LogP | 4.04408 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07285 |
| Monoisotopic Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 938.7995 |
Chemical Identifiers
| CAS Number | 577787-17-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N/C=C(\C#N)/C3=NC4=CC=CC=C4S3 |
Product Overview
AC1M007I (CAS 577787-17-8), with molecular formula C18H13N3O2S and molecular weight 335.07285 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile.