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Chemical ID: 6216336
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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