Chemical ID: 5872152

CCCCN(C(C)c1[nH]c(=O)c2ccccc2n1)C(=O)Nc3cccc(c3)Cl
Chemical ID:
5872152
Name [?]:
1-butyl-3-(3-chlorophenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
SMILES [?]:
CCCCN(C(C)c1[nH]c(=O)c2ccccc2n1)C(=O)Nc3cccc(c3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23ClN4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.4905
Area:621.6
Solvation:-3.04948
Coulombic:-58.6855
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:398.886
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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