Chemical ID: 5577628

COc1ccc2c(c1)sc(n2)NC(=O)CCC3CCCC3
Chemical ID:
5577628
Name [?]:
3-cyclopentyl-N-(6-methoxybenzothiazol-2-yl)-propanamide
SMILES [?]:
COc1ccc2c(c1)sc(n2)NC(=O)CCC3CCCC3
InChi [?]:
InChI=1/C16H20N2O2S/c1-20-12-7-8-13-14(10-12)21-16(17-13)18-15(19)9-6-11-4-2-3-5-11/h7-8,10-11H,2-6,9H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,16,4,5,15,8,17,3,6,7,13,10,11,12,14,2,9/E:(2,3)(4,5)/rA:21nCOCCCCCCSCNNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s10;s12;d13;s13;s15;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.22655
Area:517.389
Solvation:-3.70818
Coulombic:-33.0124
Bond Count [?]
All:23
Single:18
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.408
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.8
LogP (Chemaxon):4.19

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Descriptor Annotations

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