AC1M0DPX
7-(3-chlorophenyl)-3-[(2-chlorophenyl)methylsulfanyl]-12,12-dimethyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one|1-[(2-chlorobenzyl)sulfanyl]-4-(3-chlorophenyl)-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H20Cl2N4O2S2 |
|---|---|
| Molecular Weight | 542.04047 g/mol |
| LogP | 6.5453 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.04047 |
| Monoisotopic Mass | 542.04047 |
| Heavy Atoms | 35 |
| Complexity | 1671.8846 |
Chemical Identifiers
| CAS Number | 577997-52-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5Cl)C6=CC(=CC=C6)Cl)C |
Product Overview
AC1M0DPX (CAS 577997-52-5), with molecular formula C25H20Cl2N4O2S2 and molecular weight 542.04047 g/mol. IUPAC: 7-(3-chlorophenyl)-3-[(2-chlorophenyl)methylsulfanyl]-12,12-dimethyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.