Chemical ID: 5547516

CC(C)CN1C(=O)C(=Cc2ccc(cc2[N+](=O)[O-])OC)SC1=Nc3ccccc3
Chemical ID:
5547516
Name [?]:
3-isobutyl-5-[(4-methoxy-2-nitro-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CC(C)CN1C(=O)C(=Cc2ccc(cc2[N+](=O)[O-])OC)SC1=Nc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.21445
Area:590.758
Solvation:-7.5545
Coulombic:-44.8185
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:411.475
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.0
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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