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Chemical ID: 5541719
Chemical ID:
5541719
Name [?]:
2-(2,4-dichlorophenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C(C)Oc2ccc(cc2Cl)Cl)c3ccccc3
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-11(25-16-9-8-14(20)10-15(16)21)18(24)23-19-22-17(12(2)26-19)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:11,1,24,23,25,22,26,15,14,17,10,2,21,16,18,13,3,8,5,20,19,4,7,9,12,6/E:(4,5)(6,7)/rA:26cCCCNCSNCOCCOCCCCCCClClCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s3;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9651 |
Area: | 616.024 |
Solvation: | -4.43547 |
Coulombic: | -36.2798 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.13 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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