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Chemical ID: 5382200
Chemical ID:
5382200
Name [?]:
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nnnn2c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H19N5O3S/c1-3-26-16-8-4-13(5-9-16)19-17(24)12-27-18-20-21-22-23(18)14-6-10-15(25-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,8,21,25,5,9,22,24,13,7,20,23,4,11,15,10,16,17,18,19,12,26,3,14/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCOCCCCCCNCOCSCNNNNCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2118 |
Area: | 615.534 |
Solvation: | -5.17654 |
Coulombic: | -40.6187 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 385.441 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.06 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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