Chemical ID: 5861023

CCn1c(nnc1SCC(=O)Nc2c(cc(cc2C)C)C)CNC(=O)c3ccc4c(c3)OCO4
Chemical ID:
5861023
Name [?]:
N-[[4-ethyl-5-[(2,4,6-trimethylphenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2C)C)C)CNC(=O)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27N5O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.8382
Area:736.883
Solvation:-5.58393
Coulombic:-69.0038
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:481.568
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.77
LogP (Chemaxon):2.07

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