Chemical ID: 4804573

Cc1ccc2c(cc(=O)oc2c1C)CN3CCN(CC3)c4cccc(c4)Cl
Chemical ID:
4804573
Name [?]:
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1C)CN3CCN(CC3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H23ClN2O2/c1-15-6-7-20-17(12-21(26)27-22(20)16(15)2)14-24-8-10-25(11-9-24)19-5-3-4-18(23)13-19/h3-7,12-13H,8-11,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,23,24,22,3,4,16,20,17,19,7,26,14,2,12,6,25,21,5,8,11,27,15,18,9,10/E:(8,9)(10,11)/rA:27nCCCCCCCCOOCCCCNCCNCCCCCCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s12;s6;s14;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6202
Area:591.47
Solvation:-3.16657
Coulombic:-31.5331
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:382.883
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):5.41

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