AC1M20XH
11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: F1601-0584|11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6)-diene-10,12-dione|3-(4-chlorophenyl)-1-(3-nitrobenzyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione|11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione|3-(4-chlorophenyl)-1-(3-nitrobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C22H16ClN3O4S |
|---|---|
| Molecular Weight | 453.055 g/mol |
| LogP | 4.3125 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.055 |
| Monoisotopic Mass | 453.055 |
| Heavy Atoms | 31 |
| Complexity | 1467.3756 |
Chemical Identifiers
| CAS Number | 866015-93-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl |
Product Overview
AC1M20XH (CAS 866015-93-2), with molecular formula C22H16ClN3O4S and molecular weight 453.055 g/mol. IUPAC: 11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
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