Chemical ID: 7037201

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)N(C)C
Chemical ID:
7037201
Name [?]:
1-(2-dimethylaminoethyl)-5-(4-dimethylaminophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)N(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29N3O5
All Atoms:62
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.8728
Area:689.487
Solvation:-6.36436
Coulombic:-69.4915
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.515
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.88
LogP (Chemaxon):-0.69

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