Chemical ID: 4895488

c1cc(cc(c1)O)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4
Chemical ID:
4895488
Name [?]:
3-[[4-(3-morpholinosulfonylphenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
c1cc(cc(c1)O)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4
InChi [?]:
InChI=1/C20H20N4O4S2/c25-17-5-1-3-15(11-17)13-21-23-20-22-19(14-29-20)16-4-2-6-18(12-16)30(26,27)24-7-9-28-10-8-24/h1-6,11-14,25H,7-10H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,19,26,30,27,29,4,21,8,14,3,16,5,20,13,11,9,12,10,25,7,23,24,28,15,22/E:(7,8)(9,10)(26,27)/CRV:30.6/rA:30nCCCCCCOCNNCNCCSCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;d22;d22;s22;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N4O4S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.1245
Area:662.068
Solvation:-5.4272
Coulombic:-48.0723
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:444.529
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.46
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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