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Chemical ID: 5892946
Chemical ID:
5892946
Name [?]:
5-benzamido-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCC4
InChi [?]:
InChI=1/C23H27N3O3/c27-22(17-7-2-1-3-8-17)25-18-10-11-21(26-12-4-5-13-26)20(15-18)23(28)24-16-19-9-6-14-29-19/h1-3,7-8,10-11,15,19H,4-6,9,12-14,16H2,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,27,28,22,3,5,21,11,12,26,29,23,15,19,4,10,20,14,13,7,16,18,9,25,8,17,24/E:(2,3)(4,5)(7,8)(12,13)/rA:29cCCCCCCCONCCCCCCCONCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s13;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8115 |
Area: | 633.748 |
Solvation: | -5.0322 |
Coulombic: | -57.1717 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.82 |
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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