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Chemical ID: 7480425
Chemical ID:
7480425
Name [?]:
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide
SMILES [?]:
Cc1cccc(c1NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)c3ccccc3)C
InChi [?]:
InChI=1/C22H21N3O3S2/c1-15-7-6-8-16(2)20(15)25-30(27,28)19-13-11-18(12-14-19)23-22(29)24-21(26)17-9-4-3-5-10-17/h3-14,25H,1-2H3,(H2,23,24,26,29)
InChi Info:
AuxInfo=1/1/N:1,30,27,26,28,4,3,5,25,29,14,16,13,17,2,6,24,15,12,7,22,19,18,21,8,23,10,11,20,9/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(15,16)(27,28)/CRV:30.6/rA:30nCCCCCCCNSOOCCCCCCNCSNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s22;s24;d25;s26;d27;d24s28;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N3O3S2 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1959 |
Area: | 615.688 |
Solvation: | -3.19626 |
Coulombic: | -47.4201 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 439.553 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.59 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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