Chemical ID: 4452490

Cc1cc(=O)nc([nH]1)SCC=Cc2ccccc2
Chemical ID:
4452490
Name [?]:
2-cinnamylsulfanyl-6-methyl-1H-pyrimidin-4-one
SMILES [?]:
Cc1cc(=O)nc([nH]1)SCC=Cc2ccccc2
InChi [?]:
InChI=1/C14H14N2OS/c1-11-10-13(17)16-14(15-11)18-9-5-8-12-6-3-2-4-7-12/h2-8,10H,9H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,11,14,18,12,10,3,2,13,4,7,8,6,5,9/E:(3,4)(6,7)/rA:18nCCCCONCNSCCCCCCCCC/rB:s1;d2;s3;d4;s4;d6;s2s7;s7;s9;s10;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.24222
Area:447.808
Solvation:-1.95298
Coulombic:-29.8672
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:258.34
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.02
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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