Chemical ID: 5393697

CCc1cccc(c1)NC(=O)CSc2nnnn2c3ccc(cc3)C
Chemical ID:
5393697
Name [?]:
N-(3-ethylphenyl)-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
CCc1cccc(c1)NC(=O)CSc2nnnn2c3ccc(cc3)C
InChi [?]:
InChI=1/C18H19N5OS/c1-3-14-5-4-6-15(11-14)19-17(24)12-25-18-20-21-22-23(18)16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,5,4,6,21,23,20,24,8,12,22,3,7,19,10,14,9,15,16,17,18,11,13/E:(7,8)(9,10)/rA:25nCCCCCCCCNCOCSCNNNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9393
Area:582.146
Solvation:-2.61434
Coulombic:-28.1292
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.443
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.14
LogP (Chemaxon):4.58

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Descriptor Annotations

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