Chemical ID: 5930673

CCc1ccc(cc1)C(=O)Oc2ccccc2c3c(n4ccc(cc4n3)C)NC(C)(C)CC(C)(C)C
Chemical ID:
5930673
Name [?]:
[2-[4-methyl-9-(1,1,3,3-tetramethylbutylamino)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]phenyl] 4-ethylbenzoate
SMILES [?]:
CCc1ccc(cc1)C(=O)Oc2ccccc2c3c(n4ccc(cc4n3)C)NC(C)(C)CC(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H37N3O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.9715
Area:686.069
Solvation:-2.18019
Coulombic:-47.7527
Bond Count [?]
All:39
Single:28
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:483.645
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:9.18
LogP (Chemaxon):7.96

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