Chemical ID: 5896857

CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)Nc4cccc(c4)OC
Chemical ID:
5896857
Name [?]:
3-(3-methoxyphenyl)-1-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]-urea
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)Nc4cccc(c4)OC
InChi [?]:
InChI=1/C26H34N4O3/c1-19-11-15-30(16-12-19)25(31)23-18-21(9-10-24(23)29-13-4-3-5-14-29)28-26(32)27-20-7-6-8-22(17-20)33-2/h6-10,17-19H,3-5,11-16H2,1-2H3,(H2,27,28,32)
InChi Info:
AuxInfo=1/1/N:1,33,19,18,20,28,27,29,13,14,3,7,17,21,4,6,31,11,2,26,12,30,10,15,8,23,25,22,16,5,9,24,32/E:(4,5)(11,12)(13,14)(15,16)/rA:33nCCCCNCCCOCCCCCCNCCCCCNCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34N4O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.731
Area:687.226
Solvation:-5.44969
Coulombic:-64.112
Bond Count [?]
All:36
Single:28
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.573
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.39
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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