Chemical ID: 5540326

CCCCN1C(=O)C(=Cc2ccc(cc2)C(=O)OCC)SC1=Nc3ccccc3
Chemical ID:
5540326
Name [?]:
ethyl 4-[(3-butyl-4-oxo-2-phenylimino-thiazolidin-5-ylidene)methyl]benzoate
SMILES [?]:
CCCCN1C(=O)C(=Cc2ccc(cc2)C(=O)OCC)SC1=Nc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.1284
Area:629.297
Solvation:-2.60397
Coulombic:-47.0646
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:408.514
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.94
LogP (Chemaxon):5.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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