Chemical ID: 4824393

Cc1cc(nc(n1)SNc2ccccc2OC)C
Chemical ID:
4824393
Name [?]:
N-(2-methoxyphenyl)-4,6-dimethyl-pyrimidine-2-sulfenamide
SMILES [?]:
Cc1cc(nc(n1)SNc2ccccc2OC)C
InChi [?]:
InChI=1/C13H15N3OS/c1-9-8-10(2)15-13(14-9)18-16-11-6-4-5-7-12(11)17-3/h4-8,16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,17,12,13,11,14,3,2,4,10,15,6,7,5,9,16,8/E:(1,2)(9,10)(14,15)/rA:18nCCCCNCNSNCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N3OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.48682
Area:462.621
Solvation:-3.07872
Coulombic:-29.0857
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.344
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.28
LogP (Chemaxon):1.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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