Chemical ID: 3967779

CCc1nn(c(=O)n1CCOc2ccccc2)CCCN3CCN(CC3)c4cccc(c4)Cl
Chemical ID:
3967779
Name [?]:
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
SMILES [?]:
CCc1nn(c(=O)n1CCOc2ccccc2)CCCN3CCN(CC3)c4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H32ClN5O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.4312
Area:742.476
Solvation:-4.13067
Coulombic:-45.6454
Bond Count [?]
All:36
Single:28
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:470.007
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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