Chemical ID: 4775411

CCCc1c(c(nc(n1)SCc2ccc(cc2)F)O)CC=C
Chemical ID:
4775411
Name [?]:
5-allyl-2-[(4-fluorophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-ol
SMILES [?]:
CCCc1c(c(nc(n1)SCc2ccc(cc2)F)O)CC=C
InChi [?]:
InChI=1/C17H19FN2OS/c1-3-5-14-15(6-4-2)19-17(20-16(14)21)22-11-12-7-9-13(18)10-8-12/h3,7-10H,1,4-6,11H2,2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:22,1,21,2,20,3,13,17,14,16,11,12,15,5,4,6,8,18,9,7,19,10/E:(7,8)(9,10)/rA:22nCCCCCCNCNSCCCCCCCFOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;s5;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19FN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5212
Area:535.073
Solvation:-2.85566
Coulombic:-35.8524
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.41
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.71
LogP (Chemaxon):5.71

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Descriptor Annotations

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