Chemical ID: 7094945

Cc1ccccc1C(=O)Nc2cc(ccc2OC)c3nc4ccccc4s3
Chemical ID:
7094945
Name [?]:
N-(5-benzothiazol-2-yl-2-methoxy-phenyl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cc(ccc2OC)c3nc4ccccc4s3
InChi [?]:
InChI=1/C22H18N2O2S/c1-14-7-3-4-8-16(14)21(25)23-18-13-15(11-12-19(18)26-2)22-24-17-9-5-6-10-20(17)27-22/h3-13H,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,18,4,5,23,24,3,6,22,25,14,15,12,2,13,7,21,11,16,26,8,19,10,20,9,17,27/rA:27nCCCCCCCCONCCCCCCOCCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;d19;s20;s21;d22;s23;d24;d21s25;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O2S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.44
Area:583.327
Solvation:-3.14314
Coulombic:-38.0307
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.457
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):5.74

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Descriptor Annotations

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