Basic information
- CAS
34723-12-1- Standard SMILES
CC(C)c1cc(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1=O- InChIKey
SCLKVZOWUNRDIX-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22055744
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 3-Isopropyl-5,7-dimorpholinomethyltropolone
- IUPAC
- 2-hydroxy-3,5-bis(morpholin-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one
- English name
- 2-Hydroxy-3-isopropyl-5,7-bis(morpholinomethyl)-2,4,6-cycloheptatriene-1-one
- Molecular formula
- C20H30N2O4
- Molecular weight
- 362.46
Names & synonyms
34723-12-13-Isopropyl-5,7-dimorpholinomethyltropoloneDTXSID20188278RefChem:94495DTXCID501107695,7-Bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-oneBRN 06253032-hydroxy-3,5-bis(morpholin-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one2-Hydroxy-3-isopropyl-5,7-bis(morpholinomethyl)-2,4,6-cycloheptatriene-1-one2,4,6-CYCLOHEPTATRIEN-1-ONE, 5,7-BIS(MORPHOLINOMETHYL)-2-HYDROXY-3-ISOPROPYL-2-Hydroxy-3,5-bis[(morpholin-4-yl)methyl]-7-(propan-2-yl)cyclohepta-2,4,6-trien-1-one2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-5,7-bis(4-morpholinylmethyl)-
Database identifiers
- CAS
34723-12-1- PubChem CID
- 36901
- DTXSID
DTXSID20188278- Nikkaji
- J57.872J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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