Chemical ID: 5424323

CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl
Chemical ID:
5424323
Name [?]:
N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N2O2S/c1-2-10-26-15-8-6-13(7-9-15)19(25)24-20-23-12-16(27-20)11-14-4-3-5-17(21)18(14)22/h3-9,12H,2,10-11H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,7,9,6,10,3,19,16,8,20,5,17,24,25,11,14,27,26,15,13,12,4,18/E:(6,7)(8,9)/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Cl2N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.862
Area:640.81
Solvation:-4.15822
Coulombic:-36.1727
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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Descriptor Annotations

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