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Chemical ID: 5465915
Chemical ID:
5465915
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-2-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccccc1C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-13(2)25-18-6-4-3-5-17(18)19(24)23-20-22-12-16(26-20)11-14-7-9-15(21)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,21,25,22,24,19,16,2,20,23,17,10,5,11,14,26,15,13,12,4,18/E:(1,2)(7,8)(9,10)/rA:26nCCCOCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4407 |
Area: | 611.543 |
Solvation: | -4.84793 |
Coulombic: | -34.7476 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.896 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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