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Chemical ID: 5892035
Chemical ID:
5892035
Name [?]:
5-(4-pentylbenzoyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
InChi [?]:
InChI=1/C30H36N4O2/c1-2-3-5-9-23-11-13-25(14-12-23)29(35)33-26-15-16-28(34-18-6-4-7-19-34)27(20-26)30(36)32-22-24-10-8-17-31-21-24/h8,10-17,20-21H,2-7,9,18-19,22H2,1H3,(H,32,36)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,2,3,34,4,33,35,27,5,26,7,11,8,10,16,17,28,32,36,20,30,24,6,25,9,15,19,18,12,21,29,23,14,31,13,22/E:(6,7)(11,12)(13,14)(18,19)/rA:36nCCCCCCCCCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s18;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H36N4O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.2458 |
Area: | 789.577 |
Solvation: | -4.49361 |
Coulombic: | -55.2747 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 484.633 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.54 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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