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Chemical ID: 6219646
Chemical ID:
6219646
Name [?]:
2-(2,4-dichlorophenoxy)-N-[4-(4-ethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-2-12-3-5-13(6-4-12)16-11-26-19(22-16)23-18(24)10-25-17-8-7-14(20)9-15(17)21/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,21,20,23,17,10,3,6,22,24,9,19,15,12,26,25,13,14,16,18,11/E:(3,4)(5,6)/rA:26nCCCCCCCCCCSCNNCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8416 |
Area: | 629.607 |
Solvation: | -4.89855 |
Coulombic: | -35.3543 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.66 |
LogP (Chemaxon): | 6.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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