Chemical ID: 7117307

COc1cc(nc(n1)OC)[N-]S(=O)(=O)c2ccc(cc2)N
Chemical ID:
7117307
Name [?]:
(4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)-azanide
SMILES [?]:
COc1cc(nc(n1)OC)[N-]S(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C12H13N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,10,17,19,16,20,4,18,15,5,3,7,21,6,8,11,13,14,2,9,12/E:(3,4)(5,6)(17,18)/CRV:16-1,21.6/rA:21nCOCCCNCNOCN-SOOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N4O4S-
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-24.2694
Area:486.158
Solvation:-36.4233
Coulombic:-19.6989
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.322
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.96
LogP (Chemaxon):0.71

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