Basic information
- Standard SMILES
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCn1ccnn1- InChIKey
HIRIBXNYYWJITF-UHFFFAOYSA-N- Molecular formula
- C22H21Cl2N5O4
- Average molar mass
- 490.3 g/mol
Names & identifiers
- Preferred name
- 8-(5-(1H-1,2,3-triazol-1-yl)pentyloxy)-4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2H-chromen-2-one
- IUPAC
- 4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-8-[5-(triazol-1-yl)pentoxy]chromen-2-one
Names & synonyms
SCHEMBL3681462HIRIBXNYYWJITF-UHFFFAOYSA-N8-(5-(1H-1,2,3-triazol-1-yl)pentyloxy)-4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2H-chromen-2-one
Database identifiers
- PubChem CID
- 24849385
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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