1,8-Dibromo-17-[4-(3-methylphenoxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Basic information
- CAS
351990-42-6- Standard SMILES
Cc1cccc(Oc2ccc(N3C(=O)C4C(C3=O)C3(Br)c5ccccc5C4(Br)c4ccccc43)cc2)c1- InChIKey
UUDBHRFWVFUOFT-UHFFFAOYSA-N- Molecular formula
- C31H21Br2NO3
- Average molar mass
- 615.3 g/mol
Names & identifiers
- Preferred name
- 1,8-Dibromo-17-[4-(3-methylphenoxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
- IUPAC
- 1,8-dibromo-17-[4-(3-methylphenoxy)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
- English name
- 1,8-dibromo-17-[4-(3-methylphenoxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
- Molecular formula
- C31H21Br2NO3
- Molecular weight
- 615.31134
Names & synonyms
1,8-dibromo-17-[4-(3-methylphenoxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)STK268926AKOS003244910AKOS022071972AK-918/122722071,8-dibromo-17-[4-(3-methylphenoxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione1,8-dibromo-17-[4-(3-methylphenoxy)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Database identifiers
- CAS
351990-42-6
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 855
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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