AC1MTD9J
5-(4-chlorophenyl)sulfonyl-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: Oprea1_164410|AB00674345-01|3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one|3-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE|3-((4-CHLOROPHENYL)SULFONYL)-2-IMINO-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDIN-5-ONE|3-[(4-chlorophenyl)sulfonyl]-2-imino-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one|637-780-2
| Molecular Formula | C22H19ClN4O4S |
|---|---|
| Molecular Weight | 470.08154 g/mol |
| LogP | 2.79387 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.08154 |
| Monoisotopic Mass | 470.08154 |
| Heavy Atoms | 32 |
| Complexity | 1570.4015 |
Chemical Identifiers
| CAS Number | 577698-65-8 |
|---|---|
| SMILES | C1CC(OC1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 |
Product Overview
AC1MTD9J (CAS 577698-65-8), with molecular formula C22H19ClN4O4S and molecular weight 470.08154 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.