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Chemical ID: 5362210
Chemical ID:
5362210
Name [?]:
N-(2-ethoxyphenyl)-2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)CSc2nnnn2c3ccccc3C
InChi [?]:
InChI=1/C18H19N5O2S/c1-3-25-16-11-7-5-9-14(16)19-17(24)12-26-18-20-21-22-23(18)15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,23,7,22,6,24,8,21,5,13,25,9,20,4,11,15,10,16,17,18,19,12,3,14/rA:26nCCOCCCCCCNCOCSCNNNNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3918 |
Area: | 590.917 |
Solvation: | -3.38112 |
Coulombic: | -35.873 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.37 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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