AC1LK8MP
methyl 4-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzoate
Also Known As: ChemDiv1_005270|Oprea1_421021|HMS601P12|AF-399/15128759|SR-01000446392-1|F0844-0017|methyl 4-(((3-methyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate|methyl 4-[({11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)methyl]benzoate|Methyl 4-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzoate|methyl 4-{[(3-methyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate|methyl 4-[(3-methyl-4-oxo-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-2-ylthio)methyl]benzoate
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.0759 g/mol |
| LogP | 3.5626 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0759 |
| Monoisotopic Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1051.3169 |
Chemical Identifiers
| CAS Number | 315239-36-2 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)OC)SC4=C2CCC4 |
Product Overview
AC1LK8MP (CAS 315239-36-2), with molecular formula C19H18N2O3S2 and molecular weight 386.0759 g/mol. IUPAC: methyl 4-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzoate.
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