Chemical ID: 6146191

COc1ccc(cc1OC)C(=O)Nc2ncc(s2)Cc3ccccc3
Chemical ID:
6146191
Name [?]:
N-(5-benzylthiazol-2-yl)-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ncc(s2)Cc3ccccc3
InChi [?]:
InChI=1/C19H18N2O3S/c1-23-16-9-8-14(11-17(16)24-2)18(22)21-19-20-12-15(25-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,23,22,24,21,25,5,4,19,7,16,20,6,17,3,8,11,14,15,13,12,2,9,18/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCONCNCCSCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.15889
Area:576.297
Solvation:-6.24853
Coulombic:-41.0669
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):3.54

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Descriptor Annotations

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