Chemical ID: 5866091

CCCCn1nc(nn1)NC(=O)c2cc(c(c(c2)OCC)OCC)OCC
Chemical ID:
5866091
Name [?]:
N-(2-butyltetrazol-5-yl)-3,4,5-triethoxy-benzamide
SMILES [?]:
CCCCn1nc(nn1)NC(=O)c2cc(c(c(c2)OCC)OCC)OCC
InChi [?]:
InChI=1/C18H27N5O4/c1-5-9-10-23-21-18(20-22-23)19-17(24)13-11-14(25-6-2)16(27-8-4)15(12-13)26-7-3/h11-12H,5-10H2,1-4H3,(H,19,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,27,24,2,20,26,23,3,4,18,14,13,17,15,16,11,7,10,8,6,9,5,12,19,25,22/E:(2,3)(6,7)(11,12)(14,15)(25,26)/rA:27nCCCCNNCNNNCOCCCCCCOCCOCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;s5d8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s20;s16;s22;s23;s15;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27N5O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.27575
Area:642.518
Solvation:-6.78721
Coulombic:-48.2488
Bond Count [?]
All:28
Single:22
Double:6
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:377.438
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):2.74

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