17-(2,4-Dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
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Basic information
- CAS
353487-71-5- Standard SMILES
O=C1C2C3c4ccccc4C(C(=O)O)(c4ccccc43)C2C(=O)N1c1ccc(Cl)cc1Cl- InChIKey
JWCBVHPTSKUOQO-UHFFFAOYSA-N- Molecular formula
- C25H15Cl2NO4
- Average molar mass
- 464.3 g/mol
- Monoisotopic mass
- 463.0378133
Names & identifiers
- Preferred name
- 17-(2,4-Dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
- IUPAC
- 17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
- English name
- 17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
- Molecular formula
- C25H15Cl2NO4
- Molecular weight
- 464.2969
Names & synonyms
17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid353487-71-5Oprea1_190498Oprea1_545935AKOS000520109AN-319/1277809317-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
Database identifiers
- CAS
353487-71-5- PubChem CID
- 3125598
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 824
Related reactions
0 records
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Compound notes
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