Basic information
- Standard SMILES
COC(=O)Nc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1- InChIKey
IKCSQEAURKONCG-UHFFFAOYSA-N- Molecular formula
- C26H26N6O2
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- {6-[4-(4-Benzyl-phthalazin-1-yl)-piperazin-1-yl]-pyridin-3-yl}-carbamic acid methyl ester
- IUPAC
- methyl N-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-3-pyridinyl]carbamate
Names & synonyms
SCHEMBL3607717IKCSQEAURKONCG-UHFFFAOYSA-N{6-[4-(4-Benzyl-phthalazin-1-yl)-piperazin-1-yl]-pyridin-3-yl}-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 59240657
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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