Chemical ID: 6185540

CC(C)Sc1nnc(n1c2ccccc2Cl)CNC(=O)c3ccc(cc3)OC
Chemical ID:
6185540
Name [?]:
N-[[4-(2-chlorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
SMILES [?]:
CC(C)Sc1nnc(n1c2ccccc2Cl)CNC(=O)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21ClN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2805
Area:635.124
Solvation:-3.59762
Coulombic:-43.6287
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.925
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.99
LogP (Chemaxon):3.4

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