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Basic information
- Standard SMILES
COC(=O)CCCc1nnc(-c2nccs2)c2cc(OC)ccc12- InChIKey
USMUKQLLFFOKQJ-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.09906259
Names & identifiers
- Preferred name
- 4-(6-Methoxy-4-thiazol-2-yl-phthalazin-1-yl)-butyric acid methyl ester
- IUPAC
- methyl 4-[6-methoxy-4-(1,3-thiazol-2-yl)phthalazin-1-yl]butanoate
Names & synonyms
SCHEMBL6585740USMUKQLLFFOKQJ-UHFFFAOYSA-N4(6-Methoxy-4-thiazol-2-yl-phthalazin-1-yl)-butyric acid methyl ester4-(6-Methoxy-4-thiazol-2-yl-phthalazin-1-yl)-butyric acid methyl ester
Database identifiers
- PubChem CID
- 54370004
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Related reactions
12 records
Compound notes
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