Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N3CCC(n4c(=O)c5sc(-c6ccccc6)cc5n(Cn5nnc(CC)n5)c4=O)CC3)cc1)=N[C@@H]1CCSC[C@H]21- InChIKey
DTJPKVFNWZMZJU-CZNDPXEESA-N- Molecular formula
- C43H44N8O5S2
- Average molar mass
- 817 g/mol
- Monoisotopic mass
- 816.28760888
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-[(5-ethyl-2H-tetrazol-2-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-[(5-ethyltetrazol-2-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL2045485DTJPKVFNWZMZJU-CZNDPXEESA-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-[(5-ethyl-2H-tetrazol-2-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 67259089
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,500
Related reactions
1 records
Compound notes
Loading…