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Chemical ID: 6469969
Chemical ID:
6469969
Name [?]:
4-chloro-N-[6-[2-(4-chlorophenyl)sulfonylaminobenzooxazol-6-yl]benzooxazol-2-yl]-benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)Nc2nc3ccc(cc3o2)c4ccc5c(c4)oc(n5)NS(=O)(=O)c6ccc(cc6)Cl)Cl
InChi [?]:
InChI=1/C26H16Cl2N4O6S2/c27-17-3-7-19(8-4-17)39(33,34)31-25-29-21-11-1-15(13-23(21)37-25)16-2-12-22-24(14-16)38-26(30-22)32-40(35,36)20-9-5-18(28)6-10-20/h1-14H,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:15,21,2,4,35,37,1,5,34,38,14,22,17,25,16,20,3,36,6,33,13,23,18,24,11,27,40,39,12,28,10,29,8,9,31,32,19,26,7,30/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34,35,36)(37,38)(39,40)/gE:(1,2)/CRV:39.6,40.6/rA:40nCCCCCCSOONCNCCCCCCOCCCCCCOCNNSOOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s16;s20;d21;s22;d23;d20s24;s24;s26;s23d27;s27;s29;d30;d30;s30;s33;d34;s35;d36;d33s37;s36;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H16Cl2N4O6S2 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.7004 |
Area: | 811.599 |
Solvation: | -4.58954 |
Coulombic: | -57.0973 |
Bond Count [?]
All: | 45 |
Single: | 27 |
Double: | 18 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 615.466 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.95 |
LogP (Chemaxon): | 7.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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