Chemical ID: 3638413

c1cc(cc(c1)Cl)NC(=O)CSc2[nH]nc(n2)c3cccnc3
Chemical ID:
3638413
Name [?]:
N-(3-chlorophenyl)-2-[[5-(3-pyridyl)-2H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CSc2[nH]nc(n2)c3cccnc3
InChi [?]:
InChI=1/C15H12ClN5OS/c16-11-4-1-5-12(7-11)18-13(22)9-23-15-19-14(20-21-15)10-3-2-6-17-8-10/h1-8H,9H2,(H,18,22)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,6,2,21,4,23,11,18,5,3,9,16,13,7,22,8,17,15,14,10,12/rA:23nCCCCCCClNCOCSCNNCNCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;d15;d13s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClN5OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6077
Area:559.094
Solvation:-3.36965
Coulombic:-42.4195
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.808
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.79
LogP (Chemaxon):3.14

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