Basic information
- CAS
1185689-69-3- Standard SMILES
Cc1ccc2c(n1)sc1c(=O)n(Cc3nc(-c4ccccn4)no3)cnc12- InChIKey
DFRYNHAULWFEMU-UHFFFAOYSA-N- Molecular formula
- C18H12N6O2S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.07424482
Names & identifiers
- Preferred name
- 11-Methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
- IUPAC
- 11-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
Names & synonyms
DTXSID6011104481185689-69-37-methyl-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one7-Methyl-3-[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3a(2),2a(2):4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
1185689-69-3- PubChem CID
- 45932016
- DTXSID
DTXSID601110448
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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