Chemical ID: 6616506

CCOc1c(cc(cc1Cl)C(=O)N2CCN(CC2)c3cccc(c3)Cl)Cl
Chemical ID:
6616506
Name [?]:
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dichloro-4-ethoxy-phenyl)-methanone
SMILES [?]:
CCOc1c(cc(cc1Cl)C(=O)N2CCN(CC2)c3cccc(c3)Cl)Cl
InChi [?]:
InChI=1/C19H19Cl3N2O2/c1-2-26-18-16(21)10-13(11-17(18)22)19(25)24-8-6-23(7-9-24)15-5-3-4-14(20)12-15/h3-5,10-12H,2,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,22,20,15,17,14,18,6,8,24,7,23,19,5,9,4,11,25,26,10,16,13,12,3/E:(6,7)(8,9)(10,11)(16,17)(21,22)/rA:26nCCOCCCCCCClCONCCNCCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19Cl3N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6845
Area:610.035
Solvation:-3.56634
Coulombic:-32.8641
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.725
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.58
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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