Chemical ID: 4339527

CCN(CC)c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)C(=O)OC)SC2=S
Chemical ID:
4339527
Name [?]:
methyl 4-[[3-(4-diethylaminophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate
SMILES [?]:
CCN(CC)c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)C(=O)OC)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22N2O3S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.4885
Area:658.826
Solvation:-2.98214
Coulombic:-45.6995
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:426.554
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.38
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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