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Chemical ID: 7328943
Chemical ID:
7328943
Name [?]:
3-(dimethylsulfamoyl)-N-(1-propylbenzoimidazol-2-yl)-benzamide
SMILES [?]:
CCCn1c2ccccc2nc1NC(=O)c3cccc(c3)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C19H22N4O3S/c1-4-12-23-17-11-6-5-10-16(17)20-19(23)21-18(24)14-8-7-9-15(13-14)27(25,26)22(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,8,7,18,17,19,9,6,3,21,16,20,10,5,14,12,11,13,25,4,15,23,24,22/E:(2,3)(25,26)/CRV:27.6/rA:27nCCCNCCCCCCNCNCOCCCCCCSOONCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4d11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;d22;s22;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N4O3S |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.778 |
Area: | 602.974 |
Solvation: | -4.29632 |
Coulombic: | -40.6475 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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