4-(2-[(4-Chloro-1-oxo-1,2-dihydro-phthalazin-6-ylamino)-methyl]-4-methoxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

HCID 67417063
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Basic information

Standard SMILES
COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(CNc2ccc3c(=O)[nH]nc(Cl)c3c2)c1
InChIKey
IFGTWDRUSPQOBL-UHFFFAOYSA-N
Molecular formula
C25H30ClN5O4
Average molar mass
500 g/mol

Names & identifiers

Preferred name
4-(2-[(4-Chloro-1-oxo-1,2-dihydro-phthalazin-6-ylamino)-methyl]-4-methoxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[2-[[(4-chloro-1-oxo-2H-phthalazin-6-yl)amino]methyl]-4-methoxyphenyl]piperazine-1-carboxylate

Names & synonyms

4-(2-[(4-Chloro-1-oxo-1,2-dihydro-phthalazin-6-ylamino)-methyl]-4-methoxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester4-{2-[(4-Chloro-1-oxo-1,2-dihydro-phthalazin-6-ylamino)-methyl]-4-methoxy-phenyl}-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL2461146IFGTWDRUSPQOBL-UHFFFAOYSA-N

Database identifiers

PubChem CID
67417063

Properties

Computed structural properties

XLogP
4
Topological polar surface area
95.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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