3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-
Basic information
- CAS
86551-25-9- Standard SMILES
CC(CO)c1c(Cl)cc2c(c1Cl)CCC1C(C)(C(=O)n3ccnc3)CC(=O)CC21C- InChIKey
IKDFUVIBIIPYCZ-UHFFFAOYSA-N- Molecular formula
- C23H26Cl2N2O3
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 448.1320481
Names & identifiers
- Preferred name
- 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-
- IUPAC
- 6,8-dichloro-7-(1-hydroxypropan-2-yl)-1-(imidazole-1-carbonyl)-1,4a-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthren-3-one
Names & synonyms
86551-25-9DTXSID4010069143(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-12,14-Dichloro-16-hydroxy-18-(1H-imidazol-1-yl)abieta-8(14),9(11),12-triene-2,18-dione
Database identifiers
- CAS
86551-25-9- PubChem CID
- 186356
- DTXSID
DTXSID401006914
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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