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Chemical ID: 4444415
Chemical ID:
4444415
Name [?]:
4-(3-methoxyphenyl)-N,N-bis[4-(3-methoxyphenyl)piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
COc1cccc(c1)N2CCN(CC2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C18H21N3O2/c1-23-17-9-5-8-16(14-17)20-10-12-21(13-11-20)18(22)19-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,5,19,23,6,4,10,14,11,13,8,18,7,3,15,17,9,12,16,2/E:(3,4)(6,7)(10,11)(12,13)/rA:23nCOCCCCCCNCCNCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93868 |
Area: | 515.178 |
Solvation: | -3.94076 |
Coulombic: | -44.4141 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.78 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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