Chemical ID: 6268990

Cc1cccc(c1)C(=O)Nc2nc3c(c(ccc3s2)C)C
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

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Descriptor Annotations

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