Basic information
- CAS
32773-98-1- Standard SMILES
O=C(OCCN1CCNCC1)c1cc(=O)c2ccccc2o1- InChIKey
CNVULVHFOPOISP-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.12665706
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester
- IUPAC
- 2-piperazin-1-ylethyl 4-oxochromene-2-carboxylate
Names & synonyms
32773-98-14H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester4-Oxo-4H-1-benzopyran-2-carboxylic acid 2-(1-piperazinyl)ethyl ester2-(1-Piperazinyl)ethyl 4-oxo-4H-1-benzopyran-2-carboxylateDTXSID20186436RefChem:297188DTXCID301089272-(Piperazin-1-yl)ethyl 4-oxo-4H-1-benzopyran-2-carboxylate
Database identifiers
- CAS
32773-98-1- PubChem CID
- 208652
- DTXSID
DTXSID20186436
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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