Chemical ID: 7074077

c1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4
Chemical ID:
7074077
Name [?]:
N-benzylideneamino-4-(3-morpholinosulfonylphenyl)-thiazol-2-amine
SMILES [?]:
c1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4
InChi [?]:
InChI=1/C20H20N4O3S2/c25-29(26,24-9-11-27-12-10-24)18-8-4-7-17(13-18)19-15-28-20(22-19)23-21-14-16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,16,18,25,29,26,28,20,7,13,4,15,19,12,10,8,11,9,24,22,23,27,14,21/E:(2,3)(5,6)(9,10)(11,12)(25,26)/CRV:29.6/rA:29nCCCCCCCNNCNCCSCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s19;d21;d21;s21;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N4O3S2
All Atoms:49
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7123
Area:655.964
Solvation:-4.68681
Coulombic:-33.0416
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:428.53
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.86
LogP (Chemaxon):3.93

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Descriptor Annotations

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