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Chemical ID: 5365114
Chemical ID:
5365114
Name [?]:
N-(2,5-dimethoxyphenyl)-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cc(ccc3OC)OC
InChi [?]:
InChI=1/C18H19N5O3S/c1-12-4-6-13(7-5-12)23-18(20-21-22-23)27-11-17(24)19-15-10-14(25-2)8-9-16(15)26-3/h4-10H,11H2,1-3H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,3,7,4,6,21,22,19,14,2,5,20,18,23,15,9,17,10,11,12,8,16,26,24,13/E:(4,5)(6,7)/rA:27nCCCCCCCNCNNNSCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1268 |
Area: | 607.465 |
Solvation: | -5.05986 |
Coulombic: | -41.1687 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 385.441 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.07 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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