KS-00003RM2
2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
Also Known As: KS-00003RM2|SS-0056|A4034/0171958|2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide|2-({4-cyano-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2,4,6-trien-5-yl}sulfanyl)-N-(3-ethoxyphenyl)acetamide|2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide|2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.14636 g/mol |
| LogP | 3.78018 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.14636 |
| Monoisotopic Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 932.4882 |
Chemical Identifiers
| CAS Number | 899368-66-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C=C2C#N)N4CCC3CC4 |
Product Overview
KS-00003RM2 (CAS 899368-66-2), with molecular formula C21H22N4O2S and molecular weight 394.14636 g/mol. IUPAC: 2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide.