Basic information
- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)[C@H](C)N)cc1C(NC(C)=O)CC2- InChIKey
RMSTVXKIGGIFHK-RSXQAXDFSA-N- Molecular formula
- C23H29N3O5
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- N-[3-(alanylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide
- IUPAC
- (2S)-N-(8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-aminopropanamide
Names & synonyms
SCHEMBL5840872RMSTVXKIGGIFHK-RSXQAXDFSA-NN-[3-(alanylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide
Database identifiers
- PubChem CID
- 69586596
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 632
Related reactions
1 records
Compound notes
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