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Chemical ID: 6606234
Chemical ID:
6606234
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfonylamino)-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C22H20N2O6S/c1-28-18-8-6-16(7-9-18)23-22(25)15-2-4-17(5-3-15)24-31(26,27)19-10-11-20-21(14-19)30-13-12-29-20/h2-11,14,24H,12-13H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,13,17,14,16,5,7,4,8,23,24,30,29,27,12,6,15,3,22,25,26,10,9,18,11,20,21,2,31,28,19/E:(2,3)(4,5)(6,7)(8,9)(26,27)/CRV:31.6/rA:31nCOCCCCCCNCOCCCCCCNSOOCCCCCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s26;s28;s29;s25s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O6S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87764 |
Area: | 641.688 |
Solvation: | -6.16455 |
Coulombic: | -56.0285 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 440.47 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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