Chemical ID: 5450454

CCCOc1ccccc1C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
Chemical ID:
5450454
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-propoxy-benzamide
SMILES [?]:
CCCOc1ccccc1C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N2O2S/c1-2-9-26-18-6-4-3-5-16(18)19(25)24-20-23-12-15(27-20)11-13-10-14(21)7-8-17(13)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,23,24,3,21,19,16,20,22,17,10,25,5,11,14,27,26,15,13,12,4,18/rA:27nCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Cl2N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.058
Area:642.113
Solvation:-4.99479
Coulombic:-34.9595
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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