AC1Liebi
Basic information
- CAS
61928-54-9- Standard SMILES
CC(=O)Oc1ccc2c(=O)c(-c3sc(C)nc3C)coc2c1- InChIKey
DPDDEGNAOSTQPU-UHFFFAOYSA-N- Molecular formula
- C16H13NO4S
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.05652907
Names & identifiers
- Preferred name
- AC1Liebi
- IUPAC
- [3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxochromen-7-yl] acetate
Names & synonyms
AC1LIEBI61928-54-9DTXSID60359228RefChem:313947DTXCID503102823-(2,4-Dimethylthiazol-5-yl)-4-oxo-4H-chromen-7-yl acetate3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-4H-chromen-7-yl acetateOprea1_5002723-(2,4-dimethyl-5-thiazolyl)-7-acetoxychromone3-(2,4-Dimethyl-1,3-thiazol-5-yl)-4-oxo-4H-1-benzopyran-7-yl acetate
Database identifiers
- CAS
61928-54-9- PubChem CID
- 952897
- DTXSID
DTXSID60359228
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
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Related reactions
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Compound notes
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