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Chemical ID: 3938748
Chemical ID:
3938748
Name [?]:
N-(8-benzyl-8-azabicyclo[3.2.1]oct-3-yl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NC2CC3CCC(C2)N3Cc4ccccc4
InChi [?]:
InChI=1/C22H26N2O2/c1-26-21-11-7-17(8-12-21)22(25)23-18-13-19-9-10-20(14-18)24(19)15-16-5-3-2-4-6-16/h2-8,11-12,18-20H,9-10,13-15H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,5,7,15,16,4,8,13,18,20,21,6,12,14,17,3,9,11,19,10,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(19,20)/rA:26cCOCCCCCCCONCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s12s17;s14s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6839 |
Area: | 572.682 |
Solvation: | -3.63315 |
Coulombic: | -35.8688 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.03 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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