Chemical ID: 7213245

CCOC(=O)CCCCC(c1c([nH]c(=O)[nH]1)C[NH+]2CCCCC2)O
Chemical ID:
7213245
Name [?]:
ethyl 6-hydroxy-6-[2-oxo-5-(3,4,5,6-tetrahydro-2H-pyridin-1-ylmethyl)-1,3-dihydroimidazol-4-yl]-hexanoate
SMILES [?]:
CCOC(=O)CCCCC(c1c([nH]c(=O)[nH]1)C[NH+]2CCCCC2)O
InChi [?]:
InChI=1/C17H29N3O4/c1-2-24-15(22)9-5-4-8-14(21)16-13(18-17(23)19-16)12-20-10-6-3-7-11-20/h14,21H,2-12H2,1H3,(H2,18,19,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,21,8,7,20,22,9,6,19,23,17,12,10,4,11,14,13,16,18,24,5,15,3/E:(6,7)(10,11)/rA:24cCCOCOCCCCCCCNCONCN+CCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s12;s13;d14;s11s14;s12;s17;s18;s19;s20;s21;s18s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30N3O4+
All Atoms:54
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-20.2752
Area:595.425
Solvation:-35.1608
Coulombic:-35.3257
Bond Count [?]
All:25
Single:22
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:340.438
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.7
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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