13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
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Basic information
- Standard SMILES
Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)N(Cc1ccccc1)C3=O- InChIKey
LNZSHMAGXSVBIS-UHFFFAOYSA-N- Molecular formula
- C29H21N3O2
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.16337692
Names & identifiers
- Preferred name
- 13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
- IUPAC
- 13-benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
Names & synonyms
NSC691880CHEMBL1973154NSC-691880NCI60_032991
Database identifiers
- PubChem CID
- 392068
- ChEMBL
CHEMBL1973154
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 781
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Compound notes
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