AC1M0AJV
2-[[7-(4-chlorophenyl)-13-methyl-8-oxo-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid
Also Known As: {[4-(4-Chlorophenyl)-8-methyl-5-oxo-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetic acid|2-[[7-(4-Chlorophenyl)-13-methyl-8-oxo-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid
| Molecular Formula | C19H16ClN5O3S2 |
|---|---|
| Molecular Weight | 461.0383 g/mol |
| LogP | 2.9129 |
| Topological Polar Surface Area | 92.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.0383 |
| Monoisotopic Mass | 461.0383 |
| Heavy Atoms | 30 |
| Complexity | 1359.0062 |
Chemical Identifiers
| CAS Number | 5287-17-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)O)C5=CC=C(C=C5)Cl |
Product Overview
AC1M0AJV (CAS 5287-17-2), with molecular formula C19H16ClN5O3S2 and molecular weight 461.0383 g/mol. IUPAC: 2-[[7-(4-chlorophenyl)-13-methyl-8-oxo-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid.
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