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Chemical ID: 5373979
Chemical ID:
5373979
Name [?]:
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2-naphthylsulfonyl)acetamide
SMILES [?]:
CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)CS(=O)(=O)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C24H25N3O4S/c1-18(28)26-12-14-27(15-13-26)22-9-7-21(8-10-22)25-24(29)17-32(30,31)23-11-6-19-4-2-3-5-20(19)16-23/h2-11,16H,12-15,17H2,1H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,28,29,27,30,25,12,14,11,15,24,5,9,6,8,32,19,2,26,31,13,10,23,17,16,4,7,3,18,21,22,20/E:(7,8)(9,10)(12,13)(14,15)(30,31)/CRV:32.6/rA:32nCCONCCNCCCCCCCCNCOCSOOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;d20;d20;s20;s23;d24;s25;s26;d27;s28;d29;d26s30;d23s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92818 |
Area: | 676.639 |
Solvation: | -6.98778 |
Coulombic: | -43.2662 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 451.539 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.57 |
LogP (Chemaxon): | 2.64 |
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.
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