Chemical ID: 7093741

c1ccc(cc1)Cn2c(nnn2)SCC(=O)Nc3ccccc3
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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