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Chemical ID: 6268990
Chemical ID:
6268990
Name [?]:
N-(4,5-dimethylbenzothiazol-2-yl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2nc3c(c(ccc3s2)C)C
InChi [?]:
InChI=1/C17H16N2OS/c1-10-5-4-6-13(9-10)16(20)19-17-18-15-12(3)11(2)7-8-14(15)21-17/h4-9H,1-3H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,21,4,3,5,16,17,7,2,15,14,6,18,13,8,11,12,10,9,19/rA:21nCCCCCCCCONCNCCCCCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3521 |
Area: | 489.838 |
Solvation: | -1.89389 |
Coulombic: | -29.44 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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