Chemical ID: 5448806

CCOc1ccccc1C(=O)Nc2ncc(s2)Cc3ccc(cc3Cl)Cl
Chemical ID:
5448806
Name [?]:
N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)Nc2ncc(s2)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-15(17)18(24)23-19-22-11-14(26-19)9-12-7-8-13(20)10-16(12)21/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,20,21,18,23,15,19,22,16,9,24,4,10,13,26,25,14,12,11,3,17/rA:26nCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4107
Area:614.766
Solvation:-4.95849
Coulombic:-34.4955
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.314
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.53
LogP (Chemaxon):5.17

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