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Chemical ID: 7736066
Chemical ID:
7736066
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H21N3O5S/c1-14-4-7-18(8-5-14)30(26,27)24-17-10-15(12-22-13-17)21(25)23-16-6-9-19(28-2)20(11-16)29-3/h4-13,24H,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,30,28,3,7,22,4,6,23,13,26,15,17,2,14,21,12,5,24,25,18,16,20,11,19,9,10,29,27,8/E:(4,5)(7,8)(26,27)/CRV:30.6/rA:30nCCCCCCCSOONCCCCNCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s14;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O5S |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.32123 |
Area: | 643.686 |
Solvation: | -6.77092 |
Coulombic: | -51.163 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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