Basic information
- CAS
115937-88-7- Standard SMILES
CC(C)[C@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1- InChIKey
QTYCMDBMOLSEAM-KBAYOESNSA-N- Molecular formula
- C18H24ClN3O
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.1607901
Names & identifiers
- Preferred name
- (1R,2R,5R)-2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
- IUPAC
- (1R,2R,5R)-2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
Names & synonyms
DTXSID701044159115937-88-7-rel-(1R,2R,5R)-2-(4-Chlorobenzyl)-5-(2-propanyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
Database identifiers
- CAS
115937-88-7- PubChem CID
- 14556830
- DTXSID
DTXSID701044159- Nikkaji
- J831.021A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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