AC1LUYZX
4,4-dimethyl-13-[(4-nitrophenyl)methylsulfanyl]-8-phenyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 2,2-dimethyl-8-((4-nitrobenzyl)thio)-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|2,2-dimethyl-8-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C27H22N4O3S2 |
|---|---|
| Molecular Weight | 514.11334 g/mol |
| LogP | 6.9583 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.11334 |
| Monoisotopic Mass | 514.11334 |
| Heavy Atoms | 36 |
| Complexity | 1616.0382 |
Chemical Identifiers
| CAS Number | 587010-69-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6)C |
Product Overview
AC1LUYZX (CAS 587010-69-3), with molecular formula C27H22N4O3S2 and molecular weight 514.11334 g/mol. IUPAC: 4,4-dimethyl-13-[(4-nitrophenyl)methylsulfanyl]-8-phenyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
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