N-[4-(2-chloropyridin-4-yl)-1-oxophthalazin-2(1H)-yl]-2-(1-hydroxycyclohexyl)acetamide

HCID 86673563
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Basic information

Standard SMILES
O=C(CC1(O)CCCCC1)Nn1nc(-c2ccnc(Cl)c2)c2ccccc2c1=O
InChIKey
CEXGQBCVYBPWSB-UHFFFAOYSA-N
Molecular formula
C21H21ClN4O3
Average molar mass
412.9 g/mol

Names & identifiers

Preferred name
N-[4-(2-chloropyridin-4-yl)-1-oxophthalazin-2(1H)-yl]-2-(1-hydroxycyclohexyl)acetamide
IUPAC
N-[4-(2-chloro-4-pyridinyl)-1-oxophthalazin-2-yl]-2-(1-hydroxycyclohexyl)acetamide

Names & synonyms

SCHEMBL13720794CEXGQBCVYBPWSB-UHFFFAOYSA-NN-[4-(2-chloropyridin-4-yl)-1-oxophthalazin-2(1H)-yl]-2-(1-hydroxycyclohexyl)acetamide

Database identifiers

PubChem CID
86673563

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
94.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
29

Related reactions

1 records
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Compound notes

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