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Chemical ID: 7470911
Chemical ID:
7470911
Name [?]:
N,N'-bis[4-(isopropylsulfamoyl)phenyl]butanediamide
SMILES [?]:
CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)CCC(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)C
InChi [?]:
InChI=1/C22H30N4O6S2/c1-15(2)25-33(29,30)19-9-5-17(6-10-19)23-21(27)13-14-22(28)24-18-7-11-20(12-8-18)34(31,32)26-16(3)4/h5-12,15-16,25-26H,13-14H2,1-4H3,(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,3,33,34,10,12,23,27,9,13,24,26,17,18,2,32,11,22,8,25,15,19,14,21,4,31,16,20,6,7,29,30,5,28/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30,31,32)(33,34)/gE:(1,2)/CRV:33.6,34.6/rA:34nCCCNSOOCCCCCCNCOCCCONCCCCCCSOONCCC/rB:s1;s2;s2;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;d28;s28;s31;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N4O6S2 |
All Atoms: | 64 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7487 |
Area: | 757.933 |
Solvation: | -5.19967 |
Coulombic: | -62.4489 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 510.629 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | 1.47 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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