Chemical ID: 5607119

CCCc1cc(nc(n1)SCc2ccccc2C#N)O
Chemical ID:
5607119
Name [?]:
2-[(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanylmethyl]benzonitrile
SMILES [?]:
CCCc1cc(nc(n1)SCc2ccccc2C#N)O
InChi [?]:
InChI=1/C15H15N3OS/c1-2-5-13-8-14(19)18-15(17-13)20-10-12-7-4-3-6-11(12)9-16/h3-4,6-8H,2,5,10H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,3,16,13,5,18,11,17,12,4,6,8,19,9,7,20,10/rA:20nCCCCCCNCNSCCCCCCCCNO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;t18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.0572
Area:505.881
Solvation:-2.58986
Coulombic:-33.2588
Bond Count [?]
All:21
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.19
LogP (Chemaxon):4.34

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Descriptor Annotations

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