Chemical ID: 5985674

CCOC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)Cl)c4cccn4C
Chemical ID:
5985674
Name [?]:
ethyl 4-[2-(3-chlorophenyl)-5-(1-methylpyrrol-2-yl)-pyrazol-3-yl]carbonylpiperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)Cl)c4cccn4C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24ClN5O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6614
Area:659.756
Solvation:-3.83247
Coulombic:-58.3085
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:441.911
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.34
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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