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Chemical ID: 5094474
Chemical ID:
5094474
Name [?]:
2-(phenethyl-(p-tolylsulfonyl)amino)-N-(4-pyridylmethyleneamino)acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccncc3
InChi [?]:
InChI=1/C23H24N4O3S/c1-19-7-9-22(10-8-19)31(29,30)27(16-13-20-5-3-2-4-6-20)18-23(28)26-25-17-21-11-14-24-15-12-21/h2-12,14-15,17H,13,16,18H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,7,4,6,27,31,13,28,30,12,25,20,2,14,26,5,21,29,24,23,11,22,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(29,30)/CRV:31.6/rA:31cCCCCCCCSOONCCCCCCCCCCONNCCCCNCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N4O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4462 |
Area: | 672.352 |
Solvation: | -5.36258 |
Coulombic: | -31.5292 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 436.528 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.58 |
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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