AC1M0DX6
ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate
Also Known As: (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate|3-((E)-3-Benzo[1,3]dioxol-5-yl-acryloylamino)-5-chloro-1H-indole-2-carboxylic acid ethyl ester|ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate|ethyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-chloro-1H-indole-2-carboxylate
| Molecular Formula | C21H17ClN2O5 |
|---|---|
| Molecular Weight | 412.0826 g/mol |
| LogP | 4.3786 |
| Topological Polar Surface Area | 89.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0826 |
| Monoisotopic Mass | 412.0826 |
| Heavy Atoms | 29 |
| Complexity | 1135.547 |
Chemical Identifiers
| CAS Number | 1164554-69-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
AC1M0DX6 (CAS 1164554-69-1), with molecular formula C21H17ClN2O5 and molecular weight 412.0826 g/mol. IUPAC: ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate.
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