Chemical ID: 6216289

Cc1cccc2c1sc(n2)NC(=O)c3ccc(cc3)Oc4ccccc4
Chemical ID:
6216289
Name [?]:
N-(7-methylbenzothiazol-2-yl)-4-phenoxy-benzamide
SMILES [?]:
Cc1cccc2c1sc(n2)NC(=O)c3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C21H16N2O2S/c1-14-6-5-9-18-19(14)26-21(22-18)23-20(24)15-10-12-17(13-11-15)25-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,4,3,22,26,5,15,19,16,18,2,14,21,17,6,7,12,9,10,11,13,20,8/E:(3,4)(7,8)(10,11)(12,13)/rA:26nCCCCCCCSCNNCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8271
Area:568.231
Solvation:-3.3787
Coulombic:-37.0832
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.43
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):6.03

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