Chemical ID: 5939978

CCc1ccc(cc1)C(=O)Nc2cccc(c2)c3csc(n3)NCC
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

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Descriptor Annotations

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