Chemical ID: 5902430

CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
5902430
Name [?]:
3-(3,4-dichlorophenyl)-1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-urea
SMILES [?]:
CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C23H28Cl2N4O2/c1-2-3-4-5-22(30)29-14-12-28(13-15-29)19-9-6-17(7-10-19)26-23(31)27-18-8-11-20(24)21(25)16-18/h6-11,16H,2-5,12-15H2,1H3,(H2,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,16,18,25,15,19,26,10,12,9,13,29,17,24,14,27,28,6,21,31,30,20,23,11,8,7,22/E:(6,7)(9,10)(12,13)(14,15)/rA:31nCCCCCCONCCNCCCCCCCCNCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28Cl2N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.1862
Area:721.948
Solvation:-3.86246
Coulombic:-57.2372
Bond Count [?]
All:33
Single:25
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:463.4
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.33
LogP (Chemaxon):5.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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