Chemical ID: 4474812

CC(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)Cc3ccc(cc3)OC
Chemical ID:
4474812
Name [?]:
2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)Cc3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H28N4O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6819
Area:693.912
Solvation:-4.66594
Coulombic:-41.7851
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:436.571
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.28
LogP (Chemaxon):4.81

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