Chemical ID: 5434872

CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3Cl)Cl
Chemical ID:
5434872
Name [?]:
N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N2O2S/c1-2-9-26-16-7-4-13(5-8-16)19(25)24-20-23-12-17(27-20)10-14-3-6-15(21)11-18(14)22/h3-8,11-12H,2,9-10H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,7,9,22,6,10,3,19,24,16,8,20,23,5,17,25,11,14,27,26,15,13,12,4,18/E:(4,5)(7,8)/rA:27nCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Cl2N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1159
Area:649.208
Solvation:-4.11433
Coulombic:-35.9385
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:421.341
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):5.64

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