Chemical ID: 6216336

c1ccc(cc1)Oc2ccccc2C(=O)Nc3nc4c(s3)cccc4Cl
Chemical ID:
6216336
Name [?]:
N-(4-chlorobenzothiazol-2-yl)-2-phenoxy-benzamide
SMILES [?]:
c1ccc(cc1)Oc2ccccc2C(=O)Nc3nc4c(s3)cccc4Cl
InChi [?]:
InChI=1/C20H13ClN2O2S/c21-15-10-6-12-17-18(15)22-20(26-17)23-19(24)14-9-4-5-11-16(14)25-13-7-2-1-3-8-13/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,10,23,3,5,12,24,9,22,4,13,25,8,20,19,14,17,26,18,16,15,7,21/E:(2,3)(7,8)/rA:26nCCCCCCOCCCCCCCONCNCCSCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;d17;s18;s19;s17s20;d20;s22;d23;d19s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.97228
Area:572.684
Solvation:-4.34483
Coulombic:-36.3227
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.848
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.0
LogP (Chemaxon):6.08

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Descriptor Annotations

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