Chemical ID: 6266463

c1ccc(cc1)OCCC(=O)Nc2nc(cs2)c3ccc4c(c3)CCCC4
Chemical ID:
6266463
Name [?]:
3-phenoxy-N-(4-tetralin-2-ylthiazol-2-yl)-propanamide
SMILES [?]:
c1ccc(cc1)OCCC(=O)Nc2nc(cs2)c3ccc4c(c3)CCCC4
InChi [?]:
InChI=1/C22H22N2O2S/c25-21(12-13-26-19-8-2-1-3-9-19)24-22-23-20(15-27-22)18-11-10-16-6-4-5-7-17(16)14-18/h1-3,8-11,14-15H,4-7,12-13H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,25,27,24,3,5,20,19,9,8,23,16,21,22,18,4,15,10,13,14,12,11,7,17/E:(2,3)(8,9)/rA:27nCCCCCCOCCCONCNCCSCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9642
Area:612.75
Solvation:-3.35457
Coulombic:-35.5769
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.488
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.13
LogP (Chemaxon):5.62

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