Basic information
- Standard SMILES
CCOC(=O)CNC(=O)CCCCCOc1c(OC)ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc12- InChIKey
NCHRRKISDDXXNY-UHFFFAOYSA-N- Molecular formula
- C25H27Cl2N3O7
- Average molar mass
- 552.4 g/mol
Names & identifiers
- Preferred name
- ethyl 2-(6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanamido)acetate
- IUPAC
- ethyl 2-[6-[4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-oxochromen-8-yl]oxyhexanoylamino]acetate
Names & synonyms
SCHEMBL3681923NCHRRKISDDXXNY-UHFFFAOYSA-Nethyl 2-(6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)hexanamido)acetate
Database identifiers
- PubChem CID
- 24849342
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 805
Related reactions
1 records
Compound notes
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