Chemical ID: 4796870

CCCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCCC3
Chemical ID:
4796870
Name [?]:
5-[(4-butoxyphenyl)methylene]-2-pyrrolidin-1-yl-thiazol-4-one
SMILES [?]:
CCCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H22N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9523
Area:555.457
Solvation:-2.93416
Coulombic:-32.898
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:330.446
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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