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Chemical ID: 5892044
Chemical ID:
5892044
Name [?]:
5-(4-ethylbenzoyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
InChi [?]:
InChI=1/C27H30N4O2/c1-2-20-8-10-22(11-9-20)26(32)30-23-12-13-25(31-15-4-3-5-16-31)24(17-23)27(33)29-19-21-7-6-14-28-18-21/h6-14,17-18H,2-5,15-16,19H2,1H3,(H,29,33)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,2,31,30,32,24,23,4,8,5,7,13,14,25,29,33,17,27,21,3,22,6,12,16,15,9,18,26,20,11,28,10,19/E:(4,5)(8,9)(10,11)(15,16)/rA:33nCCCCCCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s15;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N4O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2266 |
Area: | 708.882 |
Solvation: | -4.49542 |
Coulombic: | -54.3255 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 442.553 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.31 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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