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Chemical ID: 3948909
Chemical ID:
3948909
Name [?]:
2-(4-benzoyl-1-piperidyl)-N-indan-5-yl-acetamide
SMILES [?]:
c1ccc(cc1)C(=O)C2CCN(CC2)CC(=O)Nc3ccc4c(c3)CCC4
InChi [?]:
InChI=1/C23H26N2O2/c26-22(24-21-10-9-17-7-4-8-20(17)15-21)16-25-13-11-19(12-14-25)23(27)18-5-2-1-3-6-18/h1-3,5-6,9-10,15,19H,4,7-8,11-14,16H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,3,5,27,25,21,20,10,14,11,13,24,15,22,4,9,23,19,16,7,18,12,17,8/E:(2,3)(5,6)(11,12)(13,14)/rA:27nCCCCCCCOCCCNCCCCONCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4899 |
Area: | 591.408 |
Solvation: | -4.29528 |
Coulombic: | -34.1247 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 362.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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