Chemical ID: 4460041

CCOc1cc(c(cc1OCC(=O)OC)Cl)C2c3c(nn(c3OC(=C2C#N)N)c4ccccc4)C
Chemical ID:
4460041
Name [?]:
methyl 2-[4-(4-amino-3-cyano-9-methyl-7-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-trien-2-yl)-5-chloro-2-ethoxy-phenoxy]acetate
SMILES [?]:
CCOc1cc(c(cc1OCC(=O)OC)Cl)C2c3c(nn(c3OC(=C2C#N)N)c4ccccc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23ClN4O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.2912
Area:721.434
Solvation:-7.74466
Coulombic:-64.9607
Bond Count [?]
All:38
Single:27
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:494.927
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.3
LogP (Chemaxon):3.24

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