Basic information
- Standard SMILES
CC(C)(Cc1ccc(Cl)cc1Cl)C(O)(Cn1cncn1)Cn1cncn1- InChIKey
VNQBVGPCTMQZPM-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N6O
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.1075647
Names & identifiers
- Preferred name
- 4-(2,4-Dichlorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)-1-(1,2,4-triazol-1-yl)-2-butanol
- IUPAC
- 4-(2,4-dichlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
Names & synonyms
SCHEMBL10470302VNQBVGPCTMQZPM-UHFFFAOYSA-N4-(2,4-dichlorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-yl-methyl)-1-(1,2,4-triazol-1-yl)-2-butanol4-(2,4-dichlorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)-1-(1,2,4-triazol-1-yl)-2-butanol
Database identifiers
- PubChem CID
- 13340384
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
3 records
Compound notes
Loading…