Basic information
- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OCCCN3CCN(C)CC3)cc1[C@@H](NC(C)=O)CC2- InChIKey
YUVQMUPRRHTUHH-DEOSSOPVSA-N- Molecular formula
- C28H39N3O5
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- n-[(5s)-3-(3-(4-Methylpiperazin-1-yl)propoxy)-9,10,11-trimethoxy-6,7-dihydro-5h-dibenzo[a,c]cyclohepten-5-yl]acetamide
- IUPAC
- N-[(8S)-13,14,15-trimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide
Names & synonyms
SCHEMBL5841252YUVQMUPRRHTUHH-DEOSSOPVSA-Nn-[(5s)-3-(3-(4-methylpiperazin-1-yl)propoxy)-9,10,11-trimethoxy-6,7-dihydro-5h-dibenzo[a,c]cyclohepten-5-yl]acetamide
Database identifiers
- PubChem CID
- 9848717
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 688
Related reactions
1 records
Compound notes
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