Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)Oc1cc(-n2c(=O)[nH]c3c(c2=O)CCC3)c(F)cc1Cl- InChIKey
IIBJNFQJQNIZBU-UHFFFAOYSA-N- Molecular formula
- C16H16ClFN2O3
- Average molar mass
- 338.76 g/mol
- Monoisotopic mass
- 338.0833482
Names & identifiers
- Preferred name
- 3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidine-2,4(3H)-dione
- IUPAC
- 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL10575094IIBJNFQJQNIZBU-UHFFFAOYSA-N3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidine-2,4(3H)-dione3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidine-2,4(3H)dione
Database identifiers
- PubChem CID
- 20026034
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 551
Related reactions
3 records
Compound notes
Loading…