4-[[3-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-5,6,7,8-tetrahydro-1(2H)-phthalazinone
Basic information
- CAS
1073659-91-2- Standard SMILES
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)C2CC2)CC1- InChIKey
XGXYIXNWQNNHRE-UHFFFAOYSA-N- Molecular formula
- C24H27FN4O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.2067189
Names & identifiers
- Preferred name
- 4-[[3-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-5,6,7,8-tetrahydro-1(2H)-phthalazinone
- IUPAC
- 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
Names & synonyms
SCHEMBL5125334CHEMBL3897941DTXSID0011059181073659-91-24-[[3-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-5,6,7,8-tetrahydro-1(2H)-phthalazinone
Database identifiers
- CAS
1073659-91-2- PubChem CID
- 69321008
- DTXSID
DTXSID001105918- ChEMBL
CHEMBL3897941
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 857
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Compound notes
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