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Chemical ID: 5892292
Chemical ID:
5892292
Name [?]:
5-butanoylamino-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-benzamide
SMILES [?]:
CCCC(=O)Nc1ccc(c(c1)C(=O)NC(C)CC)N2CCN(CC2)c3ccccc3OC
InChi [?]:
InChI=1/C26H36N4O3/c1-5-9-25(31)28-20-12-13-22(21(18-20)26(32)27-19(3)6-2)29-14-16-30(17-15-29)23-10-7-8-11-24(23)33-4/h7-8,10-13,18-19H,5-6,9,14-17H2,1-4H3,(H,27,32)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,19,17,33,2,18,28,29,3,27,30,8,9,21,25,22,24,12,16,7,11,10,26,31,4,13,15,6,20,23,5,14,32/E:(14,15)(16,17)/rA:33cCCCCONCCCCCCCONCCCCNCCNCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;s16;s18;s10;s20;s21;s22;s23;s20s24;s23;s26;d27;s28;d29;d26s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N4O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.983 |
Area: | 726.909 |
Solvation: | -6.18971 |
Coulombic: | -61.0211 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 452.589 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.49 |
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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