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Chemical ID: 3960831
Chemical ID:
3960831
Name [?]:
2-bromo-N-[1-(pyrrolidin-1-ylcarbonylmethyl)-4-piperidyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCN(CC2)CC(=O)N3CCCC3)Br
InChi [?]:
InChI=1/C18H24BrN3O2/c19-16-6-2-1-5-15(16)18(24)20-14-7-11-21(12-8-14)13-17(23)22-9-3-4-10-22/h1-2,5-6,14H,3-4,7-13H2,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,6,3,11,15,20,23,12,14,16,10,5,4,17,7,24,9,13,19,18,8/E:(3,4)(7,8)(9,10)(11,12)/rA:24nCCCCCCCONCCCNCCCCONCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;s21;s19s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24BrN3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2069 |
Area: | 560.46 |
Solvation: | -3.80463 |
Coulombic: | -42.8407 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 394.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.44 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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