Chemical ID: 4200850

Cc1cccc(c1)C(=O)N2CCCN(CC2)C(=O)c3cccc(c3)C
Chemical ID:
4200850
Name [?]:
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone
SMILES [?]:
Cc1cccc(c1)C(=O)N2CCCN(CC2)C(=O)c3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4613
Area:534.863
Solvation:-2.91023
Coulombic:-36.3242
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.428
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.95
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