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Chemical ID: 6216790
Chemical ID:
6216790
Name [?]:
4-(diethylsulfamoyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-benzamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(s2)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C20H25N3O4S2/c1-5-23(6-2)29(26,27)14-9-7-13(8-10-14)18(25)22-19-21-15-11-20(3,4)12-16(24)17(15)28-19/h7-10H,5-6,11-12H2,1-4H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,28,29,2,4,11,13,10,14,27,25,12,9,20,23,21,15,18,26,19,17,3,24,16,7,8,22,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(26,27)/CRV:29.6/rA:29nCCNCCSOOCCCCCCCONCNCCSCOCCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s21;d23;s23;s25;s20s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O4S2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5414 |
Area: | 636.555 |
Solvation: | -4.37245 |
Coulombic: | -41.3321 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 435.562 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.52 |
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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