Chemical ID: 4807898

CC(C)COC(=O)Nc1nnc(s1)c2ccccc2Br
Chemical ID:
4807898
Name [?]:
isobutyl [5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]aminoformate
SMILES [?]:
CC(C)COC(=O)Nc1nnc(s1)c2ccccc2Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H14BrN3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.4186
Area:508.222
Solvation:-2.28695
Coulombic:-39.379
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.239
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.51
LogP (Chemaxon):4.22

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