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Chemical ID: 5896857
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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