Chemical ID: 5640186

CCc1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)C
Chemical ID:
5640186
Name [?]:
4-ethyl-N-(6-methylbenzothiazol-2-yl)-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)C
InChi [?]:
InChI=1/C17H16N2OS/c1-3-12-5-7-13(8-6-12)16(20)19-17-18-14-9-4-11(2)10-15(14)21-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,16,4,8,5,7,15,18,17,3,6,14,19,9,12,13,11,10,20/E:(5,6)(7,8)/rA:21nCCCCCCCCCONCNCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.2903
Area:504.505
Solvation:-2.32234
Coulombic:-29.1681
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.388
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.24
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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