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Chemical ID: 3912820
Chemical ID:
3912820
Name [?]:
4-[(3-methoxyphenyl)methyl]-N,N-bis[4-[(3-methoxyphenyl)methyl]piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
COc1cccc(c1)CN2CCN(CC2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H22ClN3O2/c1-25-18-7-2-4-15(12-18)14-22-8-10-23(11-9-22)19(24)21-17-6-3-5-16(20)13-17/h2-7,12-13H,8-11,14H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,21,6,22,20,4,11,15,12,14,8,24,9,7,23,19,3,16,25,18,10,13,17,2/E:(8,9)(10,11)/rA:25nCOCCCCCCCNCCNCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6498 |
Area: | 578.237 |
Solvation: | -3.80614 |
Coulombic: | -43.53 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.85 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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