Chemical ID: 3966896

CC(=O)OC1C(Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC
Chemical ID:
3966896
Name [?]:
[6-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)-5-oxo-2-thia-6-azabicyclo[5.4.0]undeca-8,10,12-trien-4-yl] acetate
SMILES [?]:
CC(=O)OC1C(Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N2O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.2651
Area:607.558
Solvation:-4.92385
Coulombic:-49.0031
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.519
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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