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Chemical ID: 7736110
Chemical ID:
7736110
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C21H19N3O6S/c1-28-17-3-5-18(6-4-17)31(26,27)24-16-9-15(11-22-12-16)21(25)23-10-14-2-7-19-20(8-14)30-13-29-19/h2-9,11-12,24H,10,13H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,4,8,5,7,25,28,14,22,16,18,30,23,15,13,3,6,26,27,19,17,21,12,20,10,11,2,31,29,9/E:(3,4)(5,6)(26,27)/CRV:31.6/rA:31nCOCCCCCCSOONCCCCNCCONCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s15;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O6S |
All Atoms: | 50 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1228 |
Area: | 656.865 |
Solvation: | -6.29879 |
Coulombic: | -61.0601 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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