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Chemical ID: 5907529
Chemical ID:
5907529
Name [?]:
N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)Cc3cccc(c3)C
InChi [?]:
InChI=1/C22H27N3O2/c1-3-21(26)23-19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)16-18-6-4-5-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,23,24,22,7,11,8,10,13,17,14,16,26,20,25,21,6,9,3,18,5,12,15,4,19/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCONCCCCCCNCCNCCCOCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8247 |
Area: | 609.221 |
Solvation: | -4.40586 |
Coulombic: | -41.891 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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