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Chemical ID: 5640186
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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