Chemical ID: 3912820

COc1cccc(c1)CN2CCN(CC2)C(=O)Nc3cccc(c3)Cl
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

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