Chemical ID: 7028866

c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(c(c4)Cl)Cl)Cl
Chemical ID:
7028866
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-5-(3,4-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(c(c4)Cl)Cl)Cl
InChi [?]:
InChI=1/C21H13Cl3N2O2S/c22-14-4-1-12(2-5-14)9-15-11-25-21(29-15)26-20(27)19-8-7-18(28-19)13-3-6-16(23)17(24)10-13/h1-8,10-11H,9H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,5,22,2,4,23,18,17,7,26,9,6,21,3,8,24,25,19,16,14,11,29,28,27,10,13,15,20,12/E:(1,2)(4,5)/rA:29nCCCCCCCCCNCSNCOCCCCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13Cl3N2O2S
All Atoms:42
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:14.0166
Area:690.447
Solvation:-3.2446
Coulombic:-38.6469
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:463.764
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.46
LogP (Chemaxon):6.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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