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Chemical ID: 4479897
Chemical ID:
4479897
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfanylphenyl)-acetamide
SMILES [?]:
CSc1ccccc1NC(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H14ClNOS2/c1-19-14-5-3-2-4-13(14)17-15(18)10-20-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,16,18,15,19,12,17,14,8,3,10,20,9,11,2,13/E:(6,7)(8,9)/rA:20nCSCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNOS2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4358 |
Area: | 525.102 |
Solvation: | -2.69173 |
Coulombic: | -23.4594 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.862 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.6 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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