Chemical ID: 5940789

COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)C2CCCC2
Chemical ID:
5940789
Name [?]:
2-[(cyclopentylcarbonyl-(3-methoxypropyl)amino)methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
SMILES [?]:
COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)C2CCCC2
InChi [?]:
InChI=1/C19H31N3O4S/c1-25-11-5-9-20-18(23)16-14-27-17(21-16)13-22(10-6-12-26-2)19(24)15-7-3-4-8-15/h14-15H,3-13H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,20,25,26,4,17,24,27,5,16,3,18,14,10,23,9,12,7,21,6,13,15,8,22,2,19,11/E:(3,4)(7,8)/rA:27nCOCCCNCOCCSCNCNCCCOCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s15;d21;s21;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31N3O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6232
Area:671.883
Solvation:-6.17393
Coulombic:-59.2024
Bond Count [?]
All:28
Single:24
Double:4
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:397.533
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.18
LogP (Chemaxon):0.4

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue