Chemical ID: 4449637

CCCCc1[nH]c(nn1)SCC(=O)Nc2ccccc2OC
Chemical ID:
4449637
Name [?]:
2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
CCCCc1[nH]c(nn1)SCC(=O)Nc2ccccc2OC
InChi [?]:
InChI=1/C15H20N4O2S/c1-3-4-9-13-17-15(19-18-13)22-10-14(20)16-11-7-5-6-8-12(11)21-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,17,18,16,19,4,11,15,20,5,12,7,14,6,9,8,13,21,10/rA:22nCCCCCNCNNSCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;d5s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N4O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2014
Area:554.707
Solvation:-3.66627
Coulombic:-44.2602
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:320.411
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.82
LogP (Chemaxon):2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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