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Chemical ID: 5939977
Chemical ID:
5939977
Name [?]:
N-[3-(2-ethylaminothiazol-4-yl)phenyl]-3-methoxy-benzamide
SMILES [?]:
CCNc1nc(cs1)c2cccc(c2)NC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H19N3O2S/c1-3-20-19-22-17(12-25-19)13-6-4-8-15(10-13)21-18(23)14-7-5-9-16(11-14)24-2/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,11,20,10,19,12,21,14,23,7,9,18,13,22,6,16,4,3,15,5,17,24,8/rA:25nCCNCNCCSCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3863 |
Area: | 582.401 |
Solvation: | -4.17375 |
Coulombic: | -47.1156 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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