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Chemical ID: 5870815
Chemical ID:
5870815
Name [?]:
6-chloro-N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)Cc2cnc(s2)NC(=O)c3cc4cc(ccc4oc3=O)Cl
InChi [?]:
InChI=1/C20H11Cl3N2O3S/c21-12-4-5-16-11(6-12)8-14(19(27)28-16)18(26)25-20-24-9-13(29-20)7-10-2-1-3-15(22)17(10)23/h1-6,8-9H,7H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,21,9,19,11,3,20,22,10,18,5,25,4,16,27,13,29,7,8,12,15,17,28,26,14/rA:29nCCCCCCClClCCCNCSNCOCCCCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;d18;s19;s20;d21;s22;d23;d20s24;s25;s18s26;d27;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11Cl3N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2494 |
Area: | 652.554 |
Solvation: | -5.06446 |
Coulombic: | -45.2095 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 465.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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