Chemical ID: 5986362

CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccccc3Cl)c4cccn4C
Chemical ID:
5986362
Name [?]:
[2-(2-chlorophenyl)-5-(1-methylpyrrol-2-yl)-pyrazol-3-yl]-(2,6-dimethylmorpholin-4-yl)-methanone
SMILES [?]:
CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccccc3Cl)c4cccn4C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23ClN4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:10.3674
Area:579.989
Solvation:-4.13229
Coulombic:-38.1374
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.886
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):3.01

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