3',3'-dimethyl-3',4'-dihydro-2'H-spiro[1,3-dioxane-2,10'-pyrimido[1,2-a]indole]-8'-carboxylic acid
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Basic information
- Standard SMILES
CC1(C)CN=C2N(C1)c1ccc(C(=O)O)cc1C21OCCCO1- InChIKey
ZCIQBVZEURJQTD-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4
- Average molar mass
- 316.35 g/mol
Names & identifiers
- Preferred name
- 3',3'-dimethyl-3',4'-dihydro-2'H-spiro[1,3-dioxane-2,10'-pyrimido[1,2-a]indole]-8'-carboxylic acid
- IUPAC
- 3',3'-dimethylspiro[1,3-dioxane-2,10'-2,4-dihydropyrimido[1,2-a]indole]-8'-carboxylic acid
Names & synonyms
SCHEMBL5336053ZCIQBVZEURJQTD-UHFFFAOYSA-N3',3'-dimethyl-3',4'-dihydro-2'H-spiro[1,3-dioxane-2,10'-pyrimido[1,2-a]indole]-8'-carboxylic acid
Database identifiers
- PubChem CID
- 11623836
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 539
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Related reactions
3 records
Compound notes
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