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Chemical ID: 3954189
Chemical ID:
3954189
Name [?]:
4-[2-acetamido-3-(3,4-dimethoxyphenyl)-propanoyl]-N,N-bis[4-[2-acetamido-3-(3,4-dimethoxyphenyl)-propanoyl]piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
CC(=O)NC(Cc1ccc(c(c1)OC)OC)C(=O)N2CCN(CC2)C(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C25H32N4O6/c1-17(30)26-21(14-18-8-9-22(34-3)23(15-18)35-4)24(31)28-10-12-29(13-11-28)25(32)27-19-6-5-7-20(16-19)33-2/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,30)(H,27,32)
InChi Info:
AuxInfo=1/1/N:1,35,16,14,30,29,31,8,9,20,24,21,23,6,12,33,2,7,28,32,5,10,11,17,25,4,27,19,22,3,18,26,34,15,13/E:(10,11)(12,13)/rA:35cCCONCCCCCCCCOCOCCONCCNCCCONCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s5;d17;s17;s19;s20;s21;s22;s19s23;s22;d25;s25;s27;s28;d29;s30;d31;d28s32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N4O6 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.03544 |
Area: | 719.001 |
Solvation: | -9.93958 |
Coulombic: | -85.1103 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 484.545 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 10 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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