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Chemical ID: 7296515
Chemical ID:
7296515
Name [?]:
N-benzothiazol-2-yl-3-phenoxy-propanamide
SMILES [?]:
c1ccc(cc1)OCCC(=O)Nc2nc3ccccc3s2
InChi [?]:
InChI=1/C16H14N2O2S/c19-15(10-11-20-12-6-2-1-3-7-12)18-16-17-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,3,5,16,19,9,8,4,15,20,10,13,14,12,11,7,21/E:(2,3)(6,7)/rA:21nCCCCCCOCCCONCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2S |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22423 |
Area: | 506.117 |
Solvation: | -3.4287 |
Coulombic: | -34.8724 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.74 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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