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Basic information
- Standard SMILES
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C(C)C)oc4cc3CC2)n1C.Cl- InChIKey
FRSHVBHOLHQGGH-UHFFFAOYSA-N- Molecular formula
- C24H31ClN6O2S
- Average molar mass
- 503.1 g/mol
- Monoisotopic mass
- 502.1917731
Names & identifiers
- Preferred name
- 2-(1-Methylethyl)-7-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[4,5-h][3]benzazepine hydrochloride
- IUPAC
- 7-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-propan-2-yl-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine;hydrochloride
Names & synonyms
SCHEMBL2309940FRSHVBHOLHQGGH-UHFFFAOYSA-N2-(1-Methylethyl)-7-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[4,5-h][3]benzazepine hydrochloride
Database identifiers
- PubChem CID
- 67358751
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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