Chemical ID: 5330417

CCCCOc1ccc(cc1)C(=O)NC(=S)Nc2nnn(n2)CC
Chemical ID:
5330417
Name [?]:
4-butoxy-N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NC(=S)Nc2nnn(n2)CC
InChi [?]:
InChI=1/C15H20N6O2S/c1-3-5-10-23-12-8-6-11(7-9-12)13(22)16-15(24)17-14-18-20-21(4-2)19-14/h6-9H,3-5,10H2,1-2H3,(H2,16,17,19,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,3,8,10,7,11,4,9,6,12,18,15,14,17,19,22,20,21,13,5,16/E:(6,7)(8,9)/rA:24nCCCCOCCCCCCCONCSNCNNNNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s15;s17;s18;d19;s20;d18s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N6O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.706
Area:583.808
Solvation:-3.88915
Coulombic:-47.2668
Bond Count [?]
All:25
Single:18
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.425
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):3.02

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