Chemical ID: 5902447

CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)Nc3cccc(c3Cl)Cl
Chemical ID:
5902447
Name [?]:
3-(2,3-dichlorophenyl)-1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-urea
SMILES [?]:
CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C23H28Cl2N4O2/c1-2-3-4-8-21(30)29-15-13-28(14-16-29)18-11-9-17(10-12-18)26-23(31)27-20-7-5-6-19(24)22(20)25/h5-7,9-12H,2-4,8,13-16H2,1H3,(H2,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,26,27,25,5,16,18,15,19,10,12,9,13,17,14,28,24,6,29,21,31,30,20,23,11,8,7,22/E:(9,10)(11,12)(13,14)(15,16)/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;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28Cl2N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.3174
Area:717.639
Solvation:-3.62358
Coulombic:-57.9706
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):5.08

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Descriptor Annotations

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