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Chemical ID: 6748247
Chemical ID:
6748247
Name [?]:
N-[2-(4-cyclohexylcarbonylaminophenyl)-1,3-dihydrobenzoimidazol-5-yl]cyclohexanecarboxamide
SMILES [?]:
c1cc(ccc1c2[nH]c3cc(ccc3[nH+]2)NC(=O)C4CCCCC4)NC(=O)C5CCCCC5
InChi [?]:
InChI=1/C27H32N4O2/c32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31)/p+1
InChi Info:
AuxInfo=1/1/N:31,22,30,32,21,23,29,33,20,24,1,5,2,4,12,13,10,6,28,19,3,11,14,9,7,26,17,25,16,15,8,27,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:33nCCCCCCCNCCCCCCN+NCOCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;d7s14;s11;s16;d17;s17;s19;s20;s21;s22;s19s23;s3;s25;d26;s26;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33N4O2+ |
All Atoms: | 66 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -14.9023 |
Area: | 696.906 |
Solvation: | -32.325 |
Coulombic: | -48.5485 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 445.577 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.33 |
LogP (Chemaxon): | 6.24 |
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
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