Basic information
- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc1[C@@H](NC(C)=O)CC2- InChIKey
OWPJAOCMPHYJIB-NDEPHWFRSA-N- Molecular formula
- C33H39N3O6
- Average molar mass
- 573.7 g/mol
Names & identifiers
- Preferred name
- N-[(5S)-3-(4-{4-methylpiperazin-1-ylmethyl}phenylcarbonyloxy)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide
- IUPAC
- [(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate
Names & synonyms
SCHEMBL5839635OWPJAOCMPHYJIB-NDEPHWFRSA-NN-[(5S)-3-(4-{4-methylpiperazin-1-ylmethyl}phenylcarbonyloxy)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide
Database identifiers
- PubChem CID
- 58658583
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 889
Related reactions
1 records
Compound notes
Loading…