Chemical ID: 3961151

CCN1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)Nc3cccc(c3)F
Chemical ID:
3961151
Name [?]:
1-[1-(4-ethylpiperazin-1-yl)carbonylcyclohexyl]-3-(3-fluorophenyl)-urea
SMILES [?]:
CCN1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C20H29FN4O2/c1-2-24-11-13-25(14-12-24)18(26)20(9-4-3-5-10-20)23-19(27)22-17-8-6-7-16(21)15-17/h6-8,15H,2-5,9-14H2,1H3,(H2,22,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,23,24,22,12,16,4,8,5,7,26,25,21,9,18,11,27,20,17,3,6,10,19/E:(4,5)(9,10)(11,12)(13,14)/rA:27nCCNCCNCCCOCCCCCCNCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s11;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29FN4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.76475
Area:564.633
Solvation:-4.35106
Coulombic:-59.8881
Bond Count [?]
All:29
Single:24
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:376.468
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.04
LogP (Chemaxon):2.37

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Descriptor Annotations

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