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Basic information
- Standard SMILES
CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N3CCC(n4c(=O)c5sc(-c6ccccc6)cc5n(Cc5cnn(CC)c5)c4=O)CC3)cc1)=N[C@@H]1CCSC[C@H]21- InChIKey
FTMXQBUOEBSGIK-LQFQNGICSA-N- Molecular formula
- C45H46N6O5S2
- Average molar mass
- 815 g/mol
- Monoisotopic mass
- 814.29711094
Names & identifiers
- Preferred name
- 3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 3-[1-[4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoyl]piperidin-4-yl]-1-[(1-ethylpyrazol-4-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL2050823FTMXQBUOEBSGIK-LQFQNGICSA-N3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 53246747
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,500
Related reactions
1 records
Compound notes
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