Chemical ID: 6176114

COc1ccc(cc1OC)C2CC(=NN2C(=O)c3ccccc3)c4ccc(cc4)Br
Chemical ID:
6176114
Name [?]:
[3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydropyrazol-1-yl]-phenyl-methanone
SMILES [?]:
COc1ccc(cc1OC)C2CC(=NN2C(=O)c3ccccc3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21BrN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.1725
Area:634.75
Solvation:-5.69629
Coulombic:-33.2428
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:465.339
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.82
LogP (Chemaxon):5.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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