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Chemical ID: 5522929
Chemical ID:
5522929
Name [?]:
N-(2,6-dichloro-3-methyl-phenyl)-2-(3,4-dimethylphenyl)sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1C)SCC(=O)Nc2c(ccc(c2Cl)C)Cl
InChi [?]:
InChI=1/C17H17Cl2NOS/c1-10-4-6-13(8-12(10)3)22-9-15(21)20-17-14(18)7-5-11(2)16(17)19/h4-8H,9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,8,3,17,4,16,6,10,2,18,7,5,15,11,19,14,22,20,13,12,9/rA:22nCCCCCCCCSCCONCCCCCCClCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NOS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0738 |
Area: | 552.244 |
Solvation: | -2.73228 |
Coulombic: | -22.6358 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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