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Chemical ID: 5890025
Chemical ID:
5890025
Name [?]:
5-acetamido-N-isobutyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C
InChi [?]:
InChI=1/C24H32N4O3/c1-17(2)16-25-24(30)20-15-19(26-18(3)29)9-10-21(20)27-11-13-28(14-12-27)22-7-5-6-8-23(22)31-4/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,30)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,27,22,23,21,24,11,12,15,19,16,18,9,4,2,29,10,8,13,20,25,6,5,28,14,17,30,7,26/E:(1,2)(11,12)(13,14)/rA:31nCCCCNCOCCCCCCNCCNCCCCCCCCOCNCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s25;s26;s10;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N4O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6257 |
Area: | 678.781 |
Solvation: | -6.34386 |
Coulombic: | -60.1495 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.536 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.45 |
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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