Basic information
- CAS
5215-57-6- Standard SMILES
C=CCOC12Oc3ccc(Oc4ccc(-c5ccccc5)cc4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC)CC1N(Cc1ccc(F)cc1)C(=O)C1CC1)C32- InChIKey
VDOLEUXSJNKMOL-UHFFFAOYSA-N- Molecular formula
- C51H57FN2O7
- Average molar mass
- 829 g/mol
- Monoisotopic mass
- 828.41498032
Names & identifiers
- Preferred name
- N-[15,16-bis(4-hydroxybutyl)-12-methoxyimino-4-(4-phenylphenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
- IUPAC
- N-[15,16-bis(4-hydroxybutyl)-12-methoxyimino-4-(4-phenylphenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
Names & synonyms
5215-57-6DTXSID40966510N-{10-[([1,1'-Biphenyl]-4-yl)oxy]-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
Database identifiers
- CAS
5215-57-6- PubChem CID
- 5228799
- DTXSID
DTXSID40966510
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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