Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Basic information
- CAS
6174-39-6- Standard SMILES
COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21- InChIKey
YHSGQKJFCYYNBP-UHFFFAOYSA-N- Molecular formula
- C22H16FN3O5
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.10739878
Names & identifiers
- Preferred name
- Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
- IUPAC
- methyl 2-[3-[[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
Names & synonyms
Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetateCBMicro_004681DTXSID20387421Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Database identifiers
- CAS
6174-39-6- PubChem CID
- 2889355
- DTXSID
DTXSID20387421
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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