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Chemical ID: 6212541
Chemical ID:
6212541
Name [?]:
N-[2-(1H-benzoimidazol-2-yl)phenyl]-4-[(2-methyl-1-piperidyl)sulfonyl]benzamide
SMILES [?]:
CC1CCCCN1S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4[nH]c5ccccc5n4
InChi [?]:
InChI=1/C26H26N4O3S/c1-18-8-6-7-17-30(18)34(32,33)20-15-13-19(14-16-20)26(31)29-22-10-3-2-9-21(22)25-27-23-11-4-5-12-24(23)28-25/h2-5,9-16,18H,6-8,17H2,1H3,(H,27,28)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,23,22,30,31,4,5,3,24,21,29,32,13,15,12,16,6,2,14,11,25,20,28,33,26,17,27,34,19,7,18,9,10,8/E:(4,5)(11,12)(13,14)(15,16)(23,24)(27,28)(32,33)/CRV:34.6/rA:34cCCCCCCNSOOCCCCCCCONCCCCCCCNCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s27;s28;d29;s30;d31;d28s32;d26s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N4O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.2704 |
Area: | 664.528 |
Solvation: | -3.34285 |
Coulombic: | -48.109 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 474.576 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.65 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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