Basic information
- CAS
87607-28-1- Standard SMILES
CCOC(=O)Nc1cc2c(c(NC(C)=O)n1)N=C(c1ccccc1)CN2- InChIKey
CIKQVKXBHHRFRN-UHFFFAOYSA-N- Molecular formula
- C18H19N5O3
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.14878949
Names & identifiers
- Preferred name
- Ethyl (5-(acetylamino)-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl)carbamate
- IUPAC
- ethyl N-(5-acetamido-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
Names & synonyms
Ethyl (5-(acetylamino)-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl)carbamate87607-28-1Carbamic acid, (5-(acetylamino)-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, ethyl esterCHEMBL76644DTXSID701007692N-(7-{[Ethoxy(hydroxy)methylidene]amino}-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-5-yl)ethanimidic acid
Database identifiers
- CAS
87607-28-1- PubChem CID
- 174643
- DTXSID
DTXSID701007692- ChEMBL
CHEMBL76644
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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