AC1MCBE6
methyl 2-[1-[2-(4-chlorophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate
Also Known As: KS-00002XRT|10K-550S|methyl 2-{[2-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1-methyl-2-oxoethyl]sulfanyl}benzenecarboxylate|methyl 2-[1-[2-(4-chlorophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate|methyl 2-{[1-({2-[(4-chlorophenyl)sulfanyl]ethyl}carbamoyl)ethyl]sulfanyl}benzoate|methyl2-{[1-({2-[(4-chlorophenyl)sulfanyl]ethyl}carbamoyl)ethyl]sulfanyl}benzoate
| Molecular Formula | C19H20ClNO3S2 |
|---|---|
| Molecular Weight | 409.0573 g/mol |
| LogP | 4.5157 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.0573 |
| Monoisotopic Mass | 409.0573 |
| Heavy Atoms | 26 |
| Complexity | 752.7044 |
Chemical Identifiers
| CAS Number | 337923-45-2 |
|---|---|
| SMILES | CC(C(=O)NCCSC1=CC=C(C=C1)Cl)SC2=CC=CC=C2C(=O)OC |
Product Overview
AC1MCBE6 (CAS 337923-45-2), with molecular formula C19H20ClNO3S2 and molecular weight 409.0573 g/mol. IUPAC: methyl 2-[1-[2-(4-chlorophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate.
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