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Chemical ID: 5892896
Chemical ID:
5892896
Name [?]:
5-(2-methylbenzoyl)amino-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCC4
InChi [?]:
InChI=1/C25H26N4O2/c1-18-7-2-3-9-21(18)25(31)28-20-10-11-23(29-13-4-5-14-29)22(15-20)24(30)27-17-19-8-6-12-26-16-19/h2-3,6-12,15-16H,4-5,13-14,17H2,1H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,4,5,29,30,23,3,22,6,12,13,24,28,31,16,26,20,2,21,11,7,15,14,17,8,25,19,10,27,18,9/E:(4,5)(13,14)/rA:31nCCCCCCCCONCCCCCCCONCCCCCNCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s14;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0471 |
Area: | 657.868 |
Solvation: | -4.3996 |
Coulombic: | -54.018 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.5 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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