Chemical ID: 5362210

CCOc1ccccc1NC(=O)CSc2nnnn2c3ccccc3C
Chemical ID:
5362210
Name [?]:
N-(2-ethoxyphenyl)-2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)CSc2nnnn2c3ccccc3C
InChi [?]:
InChI=1/C18H19N5O2S/c1-3-25-16-11-7-5-9-14(16)19-17(24)12-26-18-20-21-22-23(18)15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,23,7,22,6,24,8,21,5,13,25,9,20,4,11,15,10,16,17,18,19,12,3,14/rA:26nCCOCCCCCCNCOCSCNNNNCCCCCCC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N5O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3918
Area:590.917
Solvation:-3.38112
Coulombic:-35.873
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.442
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.37
LogP (Chemaxon):3.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue