AC1N3XWG
N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide
Also Known As: Oprea1_199908|F0554-1010|N-(2-(3-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,4-dimethoxybenzamide|N-{2-[3-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide|N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide|N-[2-[3-(benzothiazol-2-ylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]-3,4-dimethoxy-benzamide
| Molecular Formula | C28H26N4O4S2 |
|---|---|
| Molecular Weight | 546.1395 g/mol |
| LogP | 5.429 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.1395 |
| Monoisotopic Mass | 546.1395 |
| Heavy Atoms | 38 |
| Complexity | 1578.3278 |
Chemical Identifiers
| CAS Number | 533867-40-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC5=CC=CC=C5S4)OC |
Product Overview
AC1N3XWG (CAS 533867-40-2), with molecular formula C28H26N4O4S2 and molecular weight 546.1395 g/mol. IUPAC: N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide.
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