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Chemical ID: 5890148
Chemical ID:
5890148
Name [?]:
N-[3-(cyclohexylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-2,6-dimethoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N4CCCC4)OC
InChi [?]:
InChI=1/C26H33N3O4/c1-32-22-11-8-12-23(33-2)24(22)26(31)28-19-13-14-21(29-15-6-7-16-29)20(17-19)25(30)27-18-9-4-3-5-10-18/h8,11-14,17-18H,3-7,9-10,15-16H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,33,24,23,25,29,30,5,22,26,4,6,13,14,28,31,17,21,12,16,15,3,7,8,18,9,20,11,27,19,10,2,32/E:(1,2)(4,5)(6,7)(9,10)(11,12)(15,16)(22,23)(32,33)/rA:33nCOCCCCCCCONCCCCCCCONCCCCCCNCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;s23;s24;s21s25;s15;s27;s28;s29;s27s30;s7;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H33N3O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8136 |
Area: | 693.707 |
Solvation: | -6.52902 |
Coulombic: | -62.8589 |
Bond Count [?]
All: | 36 |
Single: | 28 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 451.558 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.77 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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