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Chemical ID: 4329847
Chemical ID:
4329847
Name [?]:
4-(dimethylsulfamoyl)-N-(6-methoxybenzothiazol-2-yl)-benzamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)OC
InChi [?]:
InChI=1/C17H17N3O4S2/c1-20(2)26(22,23)13-7-4-11(5-8-13)16(21)19-17-18-14-9-6-12(24-3)10-15(14)25-17/h4-10H,1-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,26,9,11,20,8,12,19,22,10,21,7,18,23,13,16,17,15,2,14,5,6,25,24,4/E:(1,2)(4,5)(7,8)(22,23)/CRV:26.6/rA:26nCNCSOOCCCCCCCONCNCCCCCCSOC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s21;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O4S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68274 |
Area: | 588.008 |
Solvation: | -5.01746 |
Coulombic: | -40.4671 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 391.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.91 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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