Chemical ID: 4569975

COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Nc3ccc4c(c3)OCCO4
Chemical ID:
4569975
Name [?]:
methyl 2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate
SMILES [?]:
COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Nc3ccc4c(c3)OCCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.79463
Area:603.871
Solvation:-5.30215
Coulombic:-80.0486
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.409
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.28
LogP (Chemaxon):2.86

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