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Chemical ID: 5577628
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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