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Chemical ID: 5899347
Chemical ID:
5899347
Name [?]:
5-(4-hexylbenzoyl)amino-2-(4-methyl-1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCC(CC4)C
InChi [?]:
InChI=1/C32H40N4O2/c1-3-4-5-6-8-25-10-12-27(13-11-25)31(37)35-28-14-15-30(36-19-16-24(2)17-20-36)29(21-28)32(38)34-23-26-9-7-18-33-22-26/h7,9-15,18,21-22,24H,3-6,8,16-17,19-20,23H2,1-2H3,(H,34,38)(H,35,37)
InChi Info:
AuxInfo=1/1/N:1,38,2,3,4,5,28,6,27,8,12,9,11,17,18,34,36,29,33,37,21,31,25,35,7,26,10,16,20,19,13,22,30,24,15,32,14,23/E:(10,11)(12,13)(16,17)(19,20)/rA:38nCCCCCCCCCCCCCONCCCCCCCONCCCCCNCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s19;s32;s33;s34;s35;s32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H40N4O2 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.4523 |
Area: | 838.984 |
Solvation: | -4.52232 |
Coulombic: | -55.8845 |
Bond Count [?]
All: | 41 |
Single: | 30 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 512.686 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.61 |
LogP (Chemaxon): | 6.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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