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Chemical ID: 6776586
Chemical ID:
6776586
Name [?]:
6-[(4-ethoxyphenyl)-methyl-sulfamoyl]-N,N-diethyl-4-hydroxy-quinoline-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N(C)c3ccc(cc3)OCC
InChi [?]:
InChI=1/C23H27N3O5S/c1-5-26(6-2)23(28)20-15-24-21-13-12-18(14-19(21)22(20)27)32(29,30)25(4)16-8-10-17(11-9-16)31-7-3/h8-15H,5-7H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,5,32,23,2,4,31,25,29,26,28,13,12,15,9,24,27,14,16,8,11,17,6,10,22,3,18,7,20,21,30,19/E:(1,2)(5,6)(8,9)(10,11)(29,30)/CRV:32.6/rA:32cCCNCCCOCCNCCCCCCCOSOONCCCCCCCOCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s17;s14;d19;d19;s19;s22;s22;s24;d25;s26;d27;d24s28;s27;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O5S |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0595 |
Area: | 678.397 |
Solvation: | -5.9004 |
Coulombic: | -51.3394 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 457.544 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.23 |
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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