Chemical ID: 4787941

CC(C)c1ccc(cc1)NC(=O)N2CCCN(CC2)CCOc3ccccc3
Chemical ID:
4787941
Name [?]:
N-(4-isopropylphenyl)-4-(2-phenoxyethyl)-1,4-diazepane-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N2CCCN(CC2)CCOc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H31N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.844
Area:629.481
Solvation:-3.89304
Coulombic:-44.3178
Bond Count [?]
All:30
Single:23
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.511
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.19
LogP (Chemaxon):4.26

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