Chemical ID: 5880143

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)c3ccc4c(c3)OCO4
Chemical ID:
5880143
Name [?]:
N-butyl-N-[[2-(4-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31ClN4O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.7582
Area:770.468
Solvation:-5.50355
Coulombic:-60.0045
Bond Count [?]
All:39
Single:29
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:511.012
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.56
LogP (Chemaxon):5.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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