Chemical ID: 7143392

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2
Chemical ID:
7143392
Name [?]:
N-[4-[5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2
InChi [?]:
InChI=1/C22H15Cl2N3O3S/c1-12(28)25-13-5-7-14(8-6-13)26-22-27-21(29)19(31-22)11-15-9-10-18(30-15)20-16(23)3-2-4-17(20)24/h2-11H,1H3,(H,25,28)(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,6,10,7,9,19,20,17,2,5,8,18,24,28,21,16,23,14,12,30,29,4,11,13,3,15,22,31/E:(3,4)(5,6)(7,8)(16,17)(23,24)/rA:31nCCONCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15Cl2N3O3S
All Atoms:46
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8487
Area:667.794
Solvation:-4.84616
Coulombic:-54.0759
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:472.344
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.08
LogP (Chemaxon):4.96

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Descriptor Annotations

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