Chemical ID: 6004489

CCCCCC(=O)NC(C)C(=O)Nc1nnc(s1)c2ccc(cc2)OC
Chemical ID:
6004489
Name [?]:
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]hexanamide
SMILES [?]:
CCCCCC(=O)NC(C)C(=O)Nc1nnc(s1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C18H24N4O3S/c1-4-5-6-7-15(23)19-12(2)16(24)20-18-22-21-17(26-18)13-8-10-14(25-3)11-9-13/h8-12H,4-7H2,1-3H3,(H,19,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,10,26,2,3,4,5,20,24,21,23,9,19,22,6,11,17,14,8,13,16,15,7,12,25,18/E:(8,9)(10,11)/rA:26cCCCCCCONCCCONCNNCSCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.1287
Area:638.896
Solvation:-4.8437
Coulombic:-53.6505
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.474
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.04
LogP (Chemaxon):2.61

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