Chemical ID: 3904454

CCOc1ccccc1NC(=O)CSc2nnnn2c3cc(cc(c3)C)C
Chemical ID:
3904454
Name [?]:
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)CSc2nnnn2c3cc(cc(c3)C)C
InChi [?]:
InChI=1/C19H21N5O2S/c1-4-26-17-8-6-5-7-16(17)20-18(25)12-27-19-21-22-23-24(19)15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,7,6,8,5,23,25,21,13,24,22,20,9,4,11,15,10,16,17,18,19,12,3,14/E:(2,3)(10,11)(13,14)/rA:27nCCOCCCCCCNCOCSCNNNNCCCCCCCC/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;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0925
Area:619.323
Solvation:-3.39054
Coulombic:-35.5424
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.469
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.02
LogP (Chemaxon):4.28

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