Chemical ID: 5405338

Cc1ccccc1NC(=O)CSc2nnnn2c3ccc(cc3)Cl
Chemical ID:
5405338
Name [?]:
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CSc2nnnn2c3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H14ClN5OS/c1-11-4-2-3-5-14(11)18-15(23)10-24-16-19-20-21-22(16)13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,20,22,19,23,11,2,21,18,7,9,13,24,8,14,15,16,17,10,12/E:(6,7)(8,9)/rA:24nCCCCCCCNCOCSCNNNNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClN5OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4795
Area:564.029
Solvation:-2.62123
Coulombic:-28.0364
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.834
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.66
LogP (Chemaxon):3.59

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