Chemical ID: 6287259

Cc1ccc(c(c1)C(=O)Nc2nc3c(cccc3s2)C)C
Chemical ID:
6287259
Name [?]:
2,5-dimethyl-N-(4-methylbenzothiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)C(=O)Nc2nc3c(cccc3s2)C)C
InChi [?]:
InChI=1/C17H16N2OS/c1-10-7-8-11(2)13(9-10)16(20)19-17-18-15-12(3)5-4-6-14(15)21-17/h4-9H,1-3H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,16,15,17,3,4,7,2,5,14,6,18,13,8,11,12,10,9,19/rA:21nCCCCCCCCONCNCCCCCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.358
Area:485.891
Solvation:-1.78927
Coulombic:-29.5805
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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