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Chemical ID: 5892042
Chemical ID:
5892042
Name [?]:
5-(4-butylbenzoyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
InChi [?]:
InChI=1/C29H34N4O2/c1-2-3-8-22-10-12-24(13-11-22)28(34)32-25-14-15-27(33-17-5-4-6-18-33)26(19-25)29(35)31-21-23-9-7-16-30-20-23/h7,9-16,19-20H,2-6,8,17-18,21H2,1H3,(H,31,35)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,2,3,33,32,34,26,4,25,6,10,7,9,15,16,27,31,35,19,29,23,5,24,8,14,18,17,11,20,28,22,13,30,12,21/E:(5,6)(10,11)(12,13)(17,18)/rA:35nCCCCCCCCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s17;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N4O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5395 |
Area: | 762.419 |
Solvation: | -4.52096 |
Coulombic: | -54.972 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 470.606 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.97 |
LogP (Chemaxon): | 5.11 |
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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