tert-Butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate

C₂₅H₂₇FN₄O₄CAS 763114-04-1466.51 g/mol

Open in Covalent MOL file

Amide Aryl halide Carbamate

Properties

Molecular formula: C₂₅H₂₇FN₄O₄
Molar mass: 466.51 g/mol
Exact mass: 466.2016 Da
logP: 3.35Crippen estimate
Polar surface area: 95.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

763114-04-1

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChIKey

LDWYSPDHYSLKIG-UHFFFAOYSA-N

InChI

InChI=1S/C25H27FN4O4/c1-25(2,3)34-24(33)30-12-10-29(11-13-30)23(32)19-14-16(8-9-20(19)26)15-21-17-6-4-5-7-18(17)22(31)28-27-21/h4-9,14H,10-13,15H2,1-3H3,(H,28,31)

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Work with tert-Butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate

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Similar compounds

4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one763111-47-373 % similar Azd24611174043-16-370 % similar Olaparib763113-22-046 % similar tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-541 % similar 2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid763114-26-736 % similar 1-Boc-4-(2-carboxyphenyl)piperazine444582-90-536 % similar 1-N-Boc-4-(phenylamino)piperidine125541-22-236 % similar tert-Butyl 4-((pyridin-4-ylmethyl)amino)piperidine-1-carboxylate206274-24-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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