AC1LTMDD
10-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: Oprea1_411953|UPCMLD0ENAT0513-4757:001|AF-399/15031075|SR-01000477055-1|3-allyl-2-[(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one|10-[2-Oxo-2-(4-phenylphenyl)ethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one|10-{[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one|2-[2-oxo-2-(4-phenylphenyl)ethylthio]-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopen ta[2,1-d]pyrimidino[4,5-b]thiophen-4-one|3-ALLYL-2-[(2-BIPHENYL-4-YL-2-OXOETHYL)THIO]-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
| Molecular Formula | C26H22N2O2S2 |
|---|---|
| Molecular Weight | 458.11227 g/mol |
| LogP | 5.7747 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.11227 |
| Monoisotopic Mass | 458.11227 |
| Heavy Atoms | 32 |
| Complexity | 1369.2218 |
Chemical Identifiers
| CAS Number | 314261-35-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=C2CCC5 |
Product Overview
AC1LTMDD (CAS 314261-35-3), with molecular formula C26H22N2O2S2 and molecular weight 458.11227 g/mol. IUPAC: 10-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
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