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Chemical ID: 5891841
Chemical ID:
5891841
Name [?]:
5-(3,5-dichlorobenzoyl)amino-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C23H27Cl2N3O2/c1-3-15(2)26-23(30)20-14-19(7-8-21(20)28-9-5-4-6-10-28)27-22(29)16-11-17(24)13-18(25)12-16/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,2,17,16,18,11,12,15,19,24,28,26,9,3,23,25,27,10,8,13,21,6,30,29,5,20,14,22,7/E:(5,6)(9,10)(11,12)(17,18)(24,25)/rA:30cCCCCNCOCCCCCCNCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27Cl2N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.4788 |
Area: | 691.817 |
Solvation: | -3.81663 |
Coulombic: | -49.4182 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 448.385 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.96 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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