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Chemical ID: 7498421
Chemical ID:
7498421
Name [?]:
4-isopropoxy-N-[4-(tert-butylsulfamoyl)phenyl]-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)(C)C
InChi [?]:
InChI=1/C20H26N2O4S/c1-14(2)26-17-10-6-15(7-11-17)19(23)21-16-8-12-18(13-9-16)27(24,25)22-20(3,4)5/h6-14,22H,1-5H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,27,7,9,15,19,6,10,16,18,2,8,14,5,17,11,24,13,23,12,21,22,4,20/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)(12,13)(24,25)/CRV:27.6/rA:27nCCCOCCCCCCCONCCCCCCSOONCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O4S |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2814 |
Area: | 605.138 |
Solvation: | -3.84705 |
Coulombic: | -41.6729 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.498 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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