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Chemical ID: 5379038
Chemical ID:
5379038
Name [?]:
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CSc2nnnn2c3ccccc3OC)C
InChi [?]:
InChI=1/C18H19N5O2S/c1-12-7-6-8-13(2)17(12)19-16(24)11-26-18-20-21-22-23(18)14-9-4-5-10-15(14)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,20,21,4,3,5,19,22,11,2,6,18,23,9,7,13,8,14,15,16,17,10,24,12/E:(1,2)(7,8)(12,13)/rA:26nCCCCCCCNCOCSCNNNNCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0867 |
Area: | 579.396 |
Solvation: | -4.39815 |
Coulombic: | -34.071 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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