Chemical ID: 5195450

COc1ccc(c(c1)OC)NC(=O)N2CCN(CC2)c3ccccc3
Chemical ID:
5195450
Name [?]:
N-(2,4-dimethoxyphenyl)-4-phenyl-piperazine-1-carboxamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)N2CCN(CC2)c3ccccc3
InChi [?]:
InChI=1/C19H23N3O3/c1-24-16-8-9-17(18(14-16)25-2)20-19(23)22-12-10-21(11-13-22)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,10,23,22,24,21,25,4,5,16,18,15,19,8,20,3,6,7,12,11,17,14,13,2,9/E:(4,5)(6,7)(10,11)(12,13)/rA:25nCOCCCCCCOCNCONCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.28219
Area:551.864
Solvation:-4.51441
Coulombic:-51.789
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:341.404
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.7
LogP (Chemaxon):3.04

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Descriptor Annotations

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