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Chemical ID: 5762675
Chemical ID:
5762675
Name [?]:
N-(2,3-dichlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N5OS/c16-11-7-4-8-12(14(11)17)18-13(23)9-24-15-19-20-21-22(15)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,20,18,13,4,21,17,14,22,8,24,23,16,9,10,11,7,15,12/E:(2,3)(5,6)/rA:24nCCCCCCNCNNNSCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N5OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8546 |
Area: | 568.491 |
Solvation: | -2.35772 |
Coulombic: | -29.0229 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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