Basic information
- CAS
792952-05-7- Standard SMILES
O=c1[nH]c(SCc2ccccc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3- InChIKey
HVSOFKPFFGMYOR-UHFFFAOYSA-N- Molecular formula
- C23H21N3OS2
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.11260465
Names & identifiers
- Preferred name
- CID 7309608
- IUPAC
- 11-benzyl-5-benzylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
- English name
- 7-benzyl-2-(benzylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C23H21N3OS2
- Molecular weight
- 419.56234
Names & synonyms
AR-434/4280718511-Benzyl-5-benzylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one7-benzyl-2-(benzylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
792952-05-7- PubChem CID
- 7309608
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 615
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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