Oprea1_260757
methyl 4-[(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: Oprea1_260757|Oprea1_286703|AB00685610-01|AS-871/40975195|F1102-0004|methyl 4-{[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate|methyl 4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate|methyl 4-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate|methyl 4-[(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-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen- 2-ylthio)methyl]benzoate
| Molecular Formula | C18H16N2O3S2 |
|---|---|
| Molecular Weight | 372.06024 g/mol |
| LogP | 3.5522 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.06024 |
| Monoisotopic Mass | 372.06024 |
| Heavy Atoms | 25 |
| Complexity | 1005.57336 |
Chemical Identifiers
| CAS Number | 433702-10-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2 |
Product Overview
Oprea1_260757 (CAS 433702-10-4), with molecular formula C18H16N2O3S2 and molecular weight 372.06024 g/mol. IUPAC: methyl 4-[(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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