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Chemical ID: 4824393
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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