AC1O1XO6
(E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide|3-benzo[1,3]dioxol-5-yl-N-[(9,10-dioxoanthracen-2-yl)thiocarbamoyl]prop-2-enamide|(2E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide|(E)-3-(benzo[d][1,3]dioxol-5-yl)-N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)acrylamide|N-[3-(1,3-BENZODIOXOL-5-YL)ACRYLOYL]-N'-(9,10-DIOXO-9,10-DIHYDRO-2-ANTHRACENYL)THIOUREA
| Molecular Formula | C25H16N2O5S |
|---|---|
| Molecular Weight | 456.078 g/mol |
| LogP | 3.7171 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.078 |
| Monoisotopic Mass | 456.078 |
| Heavy Atoms | 33 |
| Complexity | 1378.9603 |
Chemical Identifiers
| CAS Number | 586992-80-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC(=S)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O |
Product Overview
AC1O1XO6 (CAS 586992-80-5), with molecular formula C25H16N2O5S and molecular weight 456.078 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide.
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