Chemical ID: 4597095

CN1CCN(CC1)C(=O)CN2C(=O)C(=Cc3ccc(cc3)OC)SC2=S
Chemical ID:
4597095
Name [?]:
5-[(4-methoxyphenyl)methylene]-3-[(4-methylpiperazin-1-yl)carbonylmethyl]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CN1CCN(CC1)C(=O)CN2C(=O)C(=Cc3ccc(cc3)OC)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21N3O3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.994
Area:587.745
Solvation:-4.69962
Coulombic:-46.1594
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:391.51
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.7
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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