Chemical ID: 5460014

CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccccc3Cl
Chemical ID:
5460014
Name [?]:
3-(2-chlorophenyl)-1-(2-phenyl-5-tert-butyl-pyrazol-3-yl)-urea
SMILES [?]:
CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21ClN4O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5169
Area:587.801
Solvation:-2.17811
Coulombic:-42.351
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.86
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.63
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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