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Chemical ID: 5405338
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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