Basic information
- CAS
67390-15-2- Standard SMILES
CCOC(=O)C1=C(NC(=O)Nc2ccccc2)N(C(=O)Nc2ccccc2)CCC1- InChIKey
ZZGCBKADVRAUSM-UHFFFAOYSA-N- Molecular formula
- C22H24N4O4
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.17975526
Names & identifiers
- Preferred name
- Ethyl 1-(phenylcarbamoyl)-2-[(phenylcarbamoyl)amino]-1,4,5,6-tetrahydropyridine-3-carboxylate
- IUPAC
- ethyl 1-(phenylcarbamoyl)-6-(phenylcarbamoylamino)-3,4-dihydro-2H-pyridine-5-carboxylate
Names & synonyms
67390-15-2NSC318511DTXSID90317573NSC-318511Ethyl 1-(phenylcarbamoyl)-2-[(phenylcarbamoyl)amino]-1,4,5,6-tetrahydropyridine-3-carboxylate
Database identifiers
- CAS
67390-15-2- PubChem CID
- 330360
- DTXSID
DTXSID90317573
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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