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Chemical ID: 6798524
Chemical ID:
6798524
Name [?]:
6-[(2-ethoxyphenyl)-methyl-sulfamoyl]-4-hydroxy-N-pentyl-quinoline-3-carboxamide
SMILES [?]:
CCCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N(C)c3ccccc3OCC
InChi [?]:
InChI=1/C24H29N3O5S/c1-4-6-9-14-25-24(29)19-16-26-20-13-12-17(15-18(20)23(19)28)33(30,31)27(3)21-10-7-8-11-22(21)32-5-2/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,33,24,2,32,3,27,28,4,26,29,14,13,5,16,10,15,17,9,12,25,30,18,7,6,11,23,19,8,21,22,31,20/E:(30,31)/CRV:33.6/rA:33cCCCCCNCOCCNCCCCCCCOSOONCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s18;s15;d20;d20;s20;s23;s23;s25;d26;s27;d28;d25s29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O5S |
All Atoms: | 62 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7966 |
Area: | 684.487 |
Solvation: | -5.3156 |
Coulombic: | -57.5917 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 471.57 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.07 |
LogP (Chemaxon): | 3.9 |
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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