Chemical ID: 6877190

CC(C)CCn1cnc2c(c1=O)c(cs2)c3ccc(c(c3)OC)OC
Chemical ID:
6877190
Name [?]:
7-(3,4-dimethoxyphenyl)-4-isopentyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CC(C)CCn1cnc2c(c1=O)c(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H22N2O3S
All Atoms:47
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.70898
Area:559.769
Solvation:-5.28525
Coulombic:-37.0564
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.456
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.47
LogP (Chemaxon):3.68

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