Chemical ID: 6007360

CCCCCN(CC(=O)Nc1nccs1)C(=O)COC
Chemical ID:
6007360
Name [?]:
2-[(2-methoxyacetyl)-pentyl-amino]-N-thiazol-2-yl-acetamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nccs1)C(=O)COC
InChi [?]:
InChI=1/C13H21N3O3S/c1-3-4-5-7-16(12(18)10-19-2)9-11(17)15-13-14-6-8-20-13/h6,8H,3-5,7,9-10H2,1-2H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,4,13,5,14,7,18,8,16,11,12,10,6,9,17,19,15/rA:20nCCCCCNCCONCNCCSCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s6;d16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N3O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.85124
Area:531.996
Solvation:-6.44867
Coulombic:-48.2638
Bond Count [?]
All:20
Single:16
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:299.39
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.56
LogP (Chemaxon):1.13

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Descriptor Annotations

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