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Chemical ID: 4371786
Chemical ID:
4371786
Name [?]:
4-[(4-benzyl-1-piperidyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)Cc3ccc(cc3)C(=O)NCC4CCCO4
InChi [?]:
InChI=1/C25H32N2O2/c28-25(26-18-24-7-4-16-29-24)23-10-8-22(9-11-23)19-27-14-12-21(13-15-27)17-20-5-2-1-3-6-20/h1-3,5-6,8-11,21,24H,4,7,12-19H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,27,3,5,26,16,20,17,19,9,13,10,12,28,7,24,14,4,8,15,18,25,21,23,11,22,29/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:29cCCCCCCCCCCNCCCCCCCCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6595 |
Area: | 657.799 |
Solvation: | -3.7855 |
Coulombic: | -37.7416 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.534 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.35 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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