ChemDiv1_028340
methyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: ChemDiv1_028340|MixCom6_000532|HMS667I04|A2616/0111243|SR-01000534555-1|methyl 2-(2-chlorobenzamido)-2-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate|methyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate|METHYL 2-[(2-CHLOROPHENYL)FORMAMIDO]-2-[(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUOROPROPANOATE|methyl 2-{[(2-chlorophenyl)carbonyl]amino}-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
| Molecular Formula | C21H19ClF3N3O3S |
|---|---|
| Molecular Weight | 485.07877 g/mol |
| LogP | 4.67148 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.07877 |
| Monoisotopic Mass | 485.07877 |
| Heavy Atoms | 32 |
| Complexity | 1096.1797 |
Chemical Identifiers
| CAS Number | 447409-84-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_028340 (CAS 447409-84-9), with molecular formula C21H19ClF3N3O3S and molecular weight 485.07877 g/mol. IUPAC: methyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate.