Basic information
- CAS
66077-80-3- Standard SMILES
O=C(O)CC1Sc2nc3c(n2C1(O)c1ccccc1)CCCC3- InChIKey
APNWEAFOSRBUGI-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3S
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.10381361
Names & identifiers
- Preferred name
- 2-(1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)acetic acid
- IUPAC
- 2-(1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)acetic acid
Names & synonyms
66077-80-3NSC2874002-(1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)acetic acidDTXSID60314675NSC-287400(3-Hydroxy-3-phenyl-2,3,5,6,7,8-hexahydro[1,3]thiazolo[3,2-a][1,3]benzimidazol-2-yl)acetic acid
Database identifiers
- CAS
66077-80-3- PubChem CID
- 323923
- DTXSID
DTXSID60314675
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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