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Chemical ID: 4362641
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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