Chemical ID: 7005260

COc1ccc(cc1OC)C(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
7005260
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O3S/c1-25-16-6-4-12(9-17(16)26-2)18(24)23-19-22-10-13(27-19)7-11-3-5-14(20)15(21)8-11/h3-6,8-10H,7H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,21,5,22,4,19,25,7,16,20,6,17,23,24,3,8,11,14,27,26,15,13,12,2,9,18/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;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O3S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.62081
Area:640.971
Solvation:-6.40347
Coulombic:-41.2362
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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