Basic information
- CAS
1065097-24-6- Standard SMILES
CC1=Nn2c(nc3cc(-c4ccc(F)cc4)sc3c2=O)SC1- InChIKey
JNZJWDBJLMNACJ-UHFFFAOYSA-N- Molecular formula
- C15H10FN3OS2
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 8-(4-fluorophenyl)-3-methyl-2H,6H-thieno[3',2':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-6-one
- IUPAC
- 5-(4-fluorophenyl)-12-methyl-4,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8,12-tetraen-2-one
- English name
- 8-(4-fluorophenyl)-3-methyl-2H,6H-thieno[3',2':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-6-one
- Molecular formula
- C15H10FN3OS2
- Molecular weight
- 331.3878032
Names & synonyms
8-(4-fluorophenyl)-3-methyl-2H,6H-thieno[3',2':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-6-oneAO-476/434156725-(4-fluorophenyl)-12-methyl-4,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8,12-tetraen-2-one
Database identifiers
- CAS
1065097-24-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 545
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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