Chemical ID: 4362641

COc1ccc(cc1OC)C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
Chemical ID:
4362641
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O3S/c1-25-16-6-3-11(9-17(16)26-2)18(24)23-19-22-10-14(27-19)8-12-7-13(20)4-5-15(12)21/h3-7,9-10H,8H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,5,23,24,4,21,19,7,16,6,20,22,17,25,3,8,11,14,27,26,15,13,12,2,9,18/rA:27nCOCCCCCCOCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.39766
Area:628.767
Solvation:-6.32151
Coulombic:-41.1247
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:423.313
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.75
LogP (Chemaxon):4.57

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