Chemical ID: 6479637

COc1nc(nc(n1)Sc2ccc(cc2)N)OC
Chemical ID:
6479637
Name [?]:
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]aniline
SMILES [?]:
COc1nc(nc(n1)Sc2ccc(cc2)N)OC
InChi [?]:
InChI=1/C11H12N4O2S/c1-16-9-13-10(17-2)15-11(14-9)18-8-5-3-7(12)4-6-8/h3-6H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,12,14,11,15,13,10,3,5,7,16,4,8,6,2,17,9/E:(1,2)(3,4)(5,6)(9,10)(14,15)(16,17)/rA:18nCOCNCNCNSCCCCCCNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s12;d13;d10s14;s13;s5;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.09352
Area:440.984
Solvation:-2.93109
Coulombic:-55.634
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.305
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.65
LogP (Chemaxon):2.84

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