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Chemical ID: 7093741
Chemical ID:
7093741
Name [?]:
2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)Cn2c(nnn2)SCC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C16H15N5OS/c22-15(17-14-9-5-2-6-10-14)12-23-16-18-19-20-21(16)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,22)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,20,22,3,5,19,23,7,14,4,18,15,9,17,10,11,12,8,16,13/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCNCNNNSCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N5OS |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4578 |
Area: | 535.684 |
Solvation: | -2.93426 |
Coulombic: | -28.3009 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.95 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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