Chemical ID: 4237314

CCOc1c(cc(cc1Cl)C(=O)N2CCN(CC2)c3ccccc3OC)Cl
Chemical ID:
4237314
Name [?]:
(3,5-dichloro-4-ethoxy-phenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]-methanone
SMILES [?]:
CCOc1c(cc(cc1Cl)C(=O)N2CCN(CC2)c3ccccc3OC)Cl
InChi [?]:
InChI=1/C20H22Cl2N2O3/c1-3-27-19-15(21)12-14(13-16(19)22)20(25)24-10-8-23(9-11-24)17-6-4-5-7-18(17)26-2/h4-7,12-13H,3,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,21,22,20,23,15,17,14,18,6,8,7,5,9,19,24,4,11,27,10,16,13,12,25,3/E:(8,9)(10,11)(12,13)(15,16)(21,22)/rA:27nCCOCCCCCCClCONCCNCCCCCCCCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s24;s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22Cl2N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.90545
Area:611.586
Solvation:-5.38421
Coulombic:-39.1814
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.306
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.88
LogP (Chemaxon):4.02

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Descriptor Annotations

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