Chemical ID: 5870815

c1cc(c(c(c1)Cl)Cl)Cc2cnc(s2)NC(=O)c3cc4cc(ccc4oc3=O)Cl
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

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Descriptor Annotations

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