(R)-3-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one
Basic information
- Standard SMILES
O=C1Nc2cc(CO)cnc2N2CCSC[C@@H]12- InChIKey
OGEJCAQITDJFCB-VIFPVBQESA-N- Molecular formula
- C11H13N3O2S
- Average molar mass
- 251.31 g/mol
Names & identifiers
- Preferred name
- (R)-3-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one
- IUPAC
- (10R)-5-(hydroxymethyl)-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
Names & synonyms
SCHEMBL707322OGEJCAQITDJFCB-VIFPVBQESA-N(R)-3-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one
Database identifiers
- PubChem CID
- 58324367
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
44 records
Compound notes
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