Chemical ID: 4789161

Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3ccc(c(c3)Cl)OC
Chemical ID:
4789161
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3ccc(c(c3)Cl)OC
InChi [?]:
InChI=1/C19H19ClN4O2S/c1-12-4-6-13(7-5-12)18-22-23-19(24(18)2)27-11-17(25)21-14-8-9-16(26-3)15(20)10-14/h4-10H,11H2,1-3H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,13,27,3,7,4,6,20,21,24,15,2,5,19,23,22,16,8,11,25,18,9,10,12,17,26,14/E:(4,5)(6,7)/rA:27nCCCCCCCCNNCNCSCCONCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClN4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2812
Area:625.86
Solvation:-4.3653
Coulombic:-40.6556
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.899
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.51
LogP (Chemaxon):4.03

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Descriptor Annotations

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