Basic information
- Standard SMILES
CCc1ccc2c(c1)C=Cc1oc(C)nc1C2c1c[nH]c(=O)[nH]c1=O- InChIKey
VEWHNESEUQNHGK-UHFFFAOYSA-N- Molecular formula
- C19H17N3O3
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.12699141
Names & identifiers
- Preferred name
- (+/-)-5-(7-Ethyl-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-(12-ethyl-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione
Names & synonyms
SCHEMBL7507165VEWHNESEUQNHGK-UHFFFAOYSA-N(+/-)-5-(7-Ethyl-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
Database identifiers
- PubChem CID
- 70113435
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 629
Related reactions
4 records
Compound notes
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