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Chemical ID: 6244582
Chemical ID:
6244582
Name [?]:
4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-benzothiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc(c2c1sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)OC
InChi [?]:
InChI=1/C18H19N3O4S2/c1-11-5-10-14(25-4)15-16(11)26-18(19-15)20-17(22)12-6-8-13(9-7-12)27(23,24)21(2)3/h5-10H,1-4H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,25,27,3,15,19,16,18,4,2,14,17,5,6,7,12,9,10,11,23,13,21,22,26,8,20/E:(2,3)(6,7)(8,9)(23,24)/CRV:27.6/rA:27nCCCCCCCSCNNCOCCCCCCSOONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s23;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O4S2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34757 |
Area: | 603.942 |
Solvation: | -5.75098 |
Coulombic: | -40.5924 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.493 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.13 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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