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Chemical ID: 5393697
Chemical ID:
5393697
Name [?]:
N-(3-ethylphenyl)-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
CCc1cccc(c1)NC(=O)CSc2nnnn2c3ccc(cc3)C
InChi [?]:
InChI=1/C18H19N5OS/c1-3-14-5-4-6-15(11-14)19-17(24)12-25-18-20-21-22-23(18)16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,5,4,6,21,23,20,24,8,12,22,3,7,19,10,14,9,15,16,17,18,11,13/E:(7,8)(9,10)/rA:25nCCCCCCCCNCOCSCNNNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9393 |
Area: | 582.146 |
Solvation: | -2.61434 |
Coulombic: | -28.1292 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.14 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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