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Chemical ID: 5434872
Chemical ID:
5434872
Name [?]:
N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N2O2S/c1-2-9-26-16-7-4-13(5-8-16)19(25)24-20-23-12-17(27-20)10-14-3-6-15(21)11-18(14)22/h3-8,11-12H,2,9-10H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,7,9,22,6,10,3,19,24,16,8,20,23,5,17,25,11,14,27,26,15,13,12,4,18/E:(4,5)(7,8)/rA:27nCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl2N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1159 |
Area: | 649.208 |
Solvation: | -4.11433 |
Coulombic: | -35.9385 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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