AC1LLMIF
6,13,13-trimethyl-4-phenyl-14-oxa-17-thia-2,4,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraene-5,9-dione
Also Known As: Oprea1_339235|SR-01000205758-1|2,9,9-trimethyl-4-phenyl-9,10-dihydropyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H,7H)-dione|2,9,9-trimethyl-4-phenyl-4,7,9,10-tetrahydro-3H,11H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11-dione|3,3,7-Trimethyl-9-phenyl-1,3,4,9-tetrahydro-2-oxa-11-thia-5a,6,9,10-tetraaza-benzo[b]fluorene-5,8-dion e
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.10995 g/mol |
| LogP | 2.61482 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.10995 |
| Monoisotopic Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1365.9767 |
Chemical Identifiers
| CAS Number | 369607-61-4 |
|---|---|
| SMILES | CC1=NN2C(=O)C3=C(N=C2N(C1=O)C4=CC=CC=C4)SC5=C3CC(OC5)(C)C |
Product Overview
AC1LLMIF (CAS 369607-61-4), with molecular formula C20H18N4O3S and molecular weight 394.10995 g/mol. IUPAC: 6,13,13-trimethyl-4-phenyl-14-oxa-17-thia-2,4,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraene-5,9-dione.