Basic information
- CAS
61369-39-9- Standard SMILES
COCCn1c2c(nc(C(=O)OC)c1=NC(=O)Nc1ccccc1)CCCC2- InChIKey
SHWFGMRLWNMZJQ-UHFFFAOYSA-N- Molecular formula
- C20H24N4O4
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.17975526
Names & identifiers
- Preferred name
- Methyl 4-(2-methoxyethyl)-3-[(phenylcarbamoyl)imino]-3,4,5,6,7,8-hexahydroquinoxaline-2-carboxylate
- IUPAC
- methyl 4-(2-methoxyethyl)-3-(phenylcarbamoylimino)-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
Names & synonyms
61369-39-9DTXSID10314766Methyl 4-(2-methoxyethyl)-3-[(phenylcarbamoyl)imino]-3,4,5,6,7,8-hexahydroquinoxaline-2-carboxylate
Database identifiers
- CAS
61369-39-9- PubChem CID
- 324136
- DTXSID
DTXSID10314766
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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