Chemical ID: 4153967

Cc1cccc(c1)OCCCC(=O)Nc2nc3ccccc3s2
Chemical ID:
4153967
Name [?]:
N-benzothiazol-2-yl-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2nc3ccccc3s2
InChi [?]:
InChI=1/C18H18N2O2S/c1-13-6-4-7-14(12-13)22-11-5-10-17(21)20-18-19-15-8-2-3-9-16(15)23-18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,4,10,3,5,18,21,11,9,7,2,6,17,22,12,15,16,14,13,8,23/rA:23nCCCCCCCOCCCCONCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.36934
Area:550.501
Solvation:-4.39319
Coulombic:-33.7882
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.414
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.54
LogP (Chemaxon):4.81

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