Basic information
- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CC1(C)C(=O)N(CCNC(C)C)C(=O)N1C3c1cccc(O)c1- InChIKey
XHEJABXUQRWKLL-UHFFFAOYSA-N- Molecular formula
- C26H30N4O4
- Average molar mass
- 462.5 g/mol
Names & identifiers
- Preferred name
- (3aSR,10RS)-10-(3-Hydroxy-phenyl)-2-(2-isopropylamino-ethyl)-6-methoxy-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]fluorene-1,3-dione
- IUPAC
- 10-(3-hydroxyphenyl)-4-methoxy-15-methyl-13-[2-(propan-2-ylamino)ethyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione
Names & synonyms
SCHEMBL4180689XHEJABXUQRWKLL-UHFFFAOYSA-N(3aSR,10RS)-10-(3-Hydroxy-phenyl)-2-(2-isopropylamino-ethyl)-6-methoxy-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]fluorene-1,3-dione
Database identifiers
- PubChem CID
- 68945339
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
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