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Chemical ID: 5939978
Chemical ID:
5939978
Name [?]:
4-ethyl-N-[3-(2-ethylaminothiazol-4-yl)phenyl]-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2cccc(c2)c3csc(n3)NCC
InChi [?]:
InChI=1/C20H21N3OS/c1-3-14-8-10-15(11-9-14)19(24)22-17-7-5-6-16(12-17)18-13-25-20(23-18)21-4-2/h5-13H,3-4H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,14,15,13,4,8,5,7,17,19,3,6,16,12,18,9,21,23,11,22,10,20/E:(8,9)(10,11)/rA:25nCCCCCCCCCONCCCCCCCCSCNNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s19;s20;s18d21;s21;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.105 |
Area: | 591.007 |
Solvation: | -2.6702 |
Coulombic: | -41.3927 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.466 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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