Sdz 89-485
Basic information
- CAS
103183-65-9- Standard SMILES
CC(C)(C1CC1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1- InChIKey
LHDGDQZODHEIPT-INIZCTEOSA-N- Molecular formula
- C16H20ClN3O
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.12949
Overview
no other info available 8/89
Names & identifiers
- Preferred name
- Sdz 89-485
- IUPAC
- (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
- English name
- (2R)-2-(4-Chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
- Molecular formula
- C16H20ClN3O
- Molecular weight
- 305.8
Names & synonyms
103183-65-9San 89-485Sdz 89-485Sandoz 89-485RefChem:182094(2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol1H-1,2,4-Triazole-1-ethanol,a-(4-chlorophenyl)-a-(1-cyclopropyl-1-methylethyl)-,(aR)-SDZ-89-485SDZ89-485118550-34-8SCHEMBL7084651DTXSID40908238
Show more names
1H-1,2,4-Triazole-1-ethanol, α-(4-chlorophenyl)-α-(1-cyclopropyl-1-methylethyl)-, (αR)-
(2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol(R)-2-(4-CHLOROPHENYL)-3-CYCLOPROPYL-3-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL2-(4-Chlorophenyl)-3-cyclopropyl-3-methyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Database identifiers
- CAS
103183-65-9- PubChem CID
- 128274
- DTXSID
DTXSID40908238- Nikkaji
- J488.753K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 480.7 · 480.7±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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