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Basic information
- Standard SMILES
OCC1CC=C(c2ccc3c(nnn3CC3CC3)c2Cl)CC1- InChIKey
LVOXFEXNXJPLIV-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3O
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.12949
Names & identifiers
- Preferred name
- {4-[4-Chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl]cyclohex-3-en-1-yl}methanol
- IUPAC
- [4-[4-chloro-1-(cyclopropylmethyl)benzotriazol-5-yl]cyclohex-3-en-1-yl]methanol
Names & synonyms
SCHEMBL13727411LVOXFEXNXJPLIV-UHFFFAOYSA-N{4-[4-Chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl]cyclohex-3-en-1-yl}methanol
Database identifiers
- PubChem CID
- 70977902
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
2 records
Compound notes
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