Chemical ID: 3849963

Cc1ccc(cc1)NC(=O)C(C)Sc2nnc(n2c3ccccc3)COc4ccccc4OC
Chemical ID:
3849963
Name [?]:
2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(C)Sc2nnc(n2c3ccccc3)COc4ccccc4OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H26N4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.812
Area:731.398
Solvation:-6.47291
Coulombic:-49.0686
Bond Count [?]
All:37
Single:25
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:474.576
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.16
LogP (Chemaxon):4.95

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