(4aR,9aS)-8-(4-tert-butylanilino)-1-hydroxy-5-(propan-2-ylamino)-4a,9a-dihydroanthracene-9,10-dione
Basic information
- CAS
85011-89-8- Standard SMILES
CC(C)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)c2c1C(=O)[C@@H]1C=CC=C(O)[C@H]1C2=O- InChIKey
DHBRPRIIIDPSPC-GCJKJVERSA-N- Molecular formula
- C27H30N2O3
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.22564282
Names & identifiers
- Preferred name
- (4aR,9aS)-8-(4-tert-butylanilino)-1-hydroxy-5-(propan-2-ylamino)-4a,9a-dihydroanthracene-9,10-dione
- IUPAC
- (4aR,9aS)-8-(4-tert-butylanilino)-1-hydroxy-5-(propan-2-ylamino)-4a,9a-dihydroanthracene-9,10-dione
Database identifiers
- CAS
85011-89-8- PubChem CID
- 3086201
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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