Basic information
- Standard SMILES
O=C1Nc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc2N2CCSCC12- InChIKey
OGOPSDDRTUDWAI-UHFFFAOYSA-N- Molecular formula
- C22H23ClN4OS
- Average molar mass
- 427 g/mol
Names & identifiers
- Preferred name
- 3-((4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one
- IUPAC
- 5-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
Names & synonyms
SCHEMBL707869OGOPSDDRTUDWAI-UHFFFAOYSA-N3-((4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one
Database identifiers
- PubChem CID
- 58324489
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Related reactions
5 records
Compound notes
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