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Chemical ID: 7708528
Chemical ID:
7708528
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)NS(=O)(=O)c3ccc(cc3)C)C
InChi [?]:
InChI=1/C21H22N2O4S2/c1-15-4-10-19(11-5-15)28(24,25)22-18-9-8-17(3)21(14-18)23-29(26,27)20-12-6-16(2)7-13-20/h4-14,22-23H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,3,7,24,26,14,13,4,6,23,27,17,2,25,15,12,5,22,16,11,18,9,10,20,21,8,19/E:(4,5)(6,7)(10,11)(12,13)(24,25)(26,27)/CRV:28.6,29.6/rA:29nCCCCCCCSOONCCCCCCNSOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O4S2 |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.6948 |
Area: | 620.411 |
Solvation: | -2.81547 |
Coulombic: | -26.1498 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 13 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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