Chemical ID: 5382200

CCOc1ccc(cc1)NC(=O)CSc2nnnn2c3ccc(cc3)OC
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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Descriptor Annotations

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