6,9a-Diphenyl-1,2,3,4,9,9a-hexahydropyrimido(2,1-c)(1,4)thiazine
Basic information
- CAS
71764-42-6- Standard SMILES
C1=C(c2ccccc2)N2CCCNC2(c2ccccc2)CS1- InChIKey
IGONTONQFGWDBU-UHFFFAOYSA-N- Molecular formula
- C19H20N2S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.13471982
Names & identifiers
- Preferred name
- 6,9a-Diphenyl-1,2,3,4,9,9a-hexahydropyrimido(2,1-c)(1,4)thiazine
- IUPAC
- 6,9a-diphenyl-2,3,4,9-tetrahydro-1H-pyrimido[2,1-c][1,4]thiazine
Names & synonyms
71764-42-6NSC342744NSC 3427446,9a-Diphenyl-1,2,3,4,9,9a-hexahydropyrimido(2,1-c)(1,4)thiazine6,9a-Diphenyl-1,2,3,4,9,9a-hexahydropyrimido[2,1-c][1,4]thiazine6,9a-diphenyl-2,3,4,9-tetrahydro-1H-pyrimido[2,1-c][1,4]thiazineNSC-342744DS-0006212,6-diphenyl-4-thia-1,7-diazabicyclo[4.4.0]dec-2-ene
Database identifiers
- CAS
71764-42-6- PubChem CID
- 335000
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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