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Chemical ID: 5104983
Chemical ID:
5104983
Name [?]:
N-[(4-dimethylaminophenyl)methyleneamino]-2-(phenethyl-(p-tolylsulfonyl)amino)-acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccc(cc3)N(C)C
InChi [?]:
InChI=1/C26H30N4O3S/c1-21-9-15-25(16-10-21)34(32,33)30(18-17-22-7-5-4-6-8-22)20-26(31)28-27-19-23-11-13-24(14-12-23)29(2)3/h4-16,19H,17-18,20H2,1-3H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,33,34,17,16,18,15,19,3,7,27,31,28,30,4,6,13,12,25,20,2,14,26,29,5,21,24,23,32,11,22,9,10,8/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(32,33)/CRV:34.6/rA:34cCCCCCCCSOONCCCCCCCCCCONNCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s11;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N4O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.2673 |
Area: | 737.262 |
Solvation: | -5.16427 |
Coulombic: | -34.3172 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 478.608 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.36 |
LogP (Chemaxon): | 5.16 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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