Chemical ID: 5365114

Cc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cc(ccc3OC)OC
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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Descriptor Annotations

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