Chemical ID: 7296515

c1ccc(cc1)OCCC(=O)Nc2nc3ccccc3s2
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

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