Methyl 5-(1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl)-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Basic information
- CAS
60820-65-7- Standard SMILES
CCC1CC2CN3CCc4c([nH]c5c(C6CCC7NCCc8c7n6c6ccccc86)c(O)ccc45)C(C(=O)OC)(C2)C13- InChIKey
HLAQOSKRDJCTPZ-UHFFFAOYSA-N- Molecular formula
- C35H40N4O3
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.31004115
Names & identifiers
- Preferred name
- Methyl 5-(1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl)-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
- IUPAC
- methyl 5-(1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl)-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Database identifiers
- CAS
60820-65-7- PubChem CID
- 5088036
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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