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Chemical ID: 7722946
Chemical ID:
7722946
Name [?]:
None
SMILES [?]:
c1ccc(cc1)S(=O)(=O)N2C(CC(=N2)c3cccs3)c4cccc(c4)O
InChi [?]:
InChI=1/C19H16N2O3S2/c22-15-7-4-6-14(12-15)18-13-17(19-10-5-11-25-19)20-21(18)26(23,24)16-8-2-1-3-9-16/h1-12,18,22H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,17,21,23,3,5,16,18,25,12,20,24,4,13,11,15,14,10,26,8,9,19,7/E:(2,3)(8,9)(23,24)/CRV:26.6/rA:26cCCCCCCSOONCCCNCCCCSCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s10d13;s13;d15;s16;d17;s15s18;s11;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S2 |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6145 |
Area: | 572.971 |
Solvation: | -3.70976 |
Coulombic: | -25.7605 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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