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Chemical ID: 5892052
Chemical ID:
5892052
Name [?]:
5-(3-chlorobenzoyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
InChi [?]:
InChI=1/C25H25ClN4O2/c26-20-8-4-7-19(14-20)24(31)29-21-9-10-23(30-12-2-1-3-13-30)22(15-21)25(32)28-17-18-6-5-11-27-16-18/h4-11,14-16H,1-3,12-13,17H2,(H,28,32)(H,29,31)
InChi Info:
AuxInfo=1/1/N:30,29,31,1,23,22,2,6,12,13,24,28,32,4,16,26,20,21,3,5,11,15,14,8,17,7,25,19,10,27,9,18/E:(2,3)(12,13)/rA:32nCCCCCCClCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s14;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN4O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8833 |
Area: | 698.275 |
Solvation: | -4.57363 |
Coulombic: | -54.0123 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 448.944 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.55 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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