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Chemical ID: 7005260
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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