Chemical ID: 4760308

CCCc1cc(nc(n1)SCc2ccc(cc2)Cl)O
Chemical ID:
4760308
Name [?]:
2-[(4-chlorophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-ol
SMILES [?]:
CCCc1cc(nc(n1)SCc2ccc(cc2)Cl)O
InChi [?]:
InChI=1/C14H15ClN2OS/c1-2-3-12-8-13(18)17-14(16-12)19-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,17,14,16,5,11,12,15,4,6,8,18,9,7,19,10/E:(4,5)(6,7)/rA:19nCCCCCCNCNSCCCCCCCClO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.5657
Area:508.176
Solvation:-2.13874
Coulombic:-30.6578
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.8
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.09
LogP (Chemaxon):5.05

Name Annotations

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Descriptor Annotations

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