Chemical ID: 4797217

Cc1cc(c2c(cc(=O)oc2c1)CN3CCN(CC3)c4cccc(c4)Cl)C
Chemical ID:
4797217
Name [?]:
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethyl-chromen-2-one
SMILES [?]:
Cc1cc(c2c(cc(=O)oc2c1)CN3CCN(CC3)c4cccc(c4)Cl)C
InChi [?]:
InChI=1/C22H23ClN2O2/c1-15-10-16(2)22-17(12-21(26)27-20(22)11-15)14-24-6-8-25(9-7-24)19-5-3-4-18(23)13-19/h3-5,10-13H,6-9,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,22,23,21,15,19,16,18,3,12,7,25,13,2,4,6,24,20,11,8,5,26,14,17,9,10/E:(6,7)(8,9)/rA:27nCCCCCCCCOOCCCNCCNCCCCCCCCClC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3303
Area:579.705
Solvation:-3.16231
Coulombic:-31.4883
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:4.75
LogP (Chemaxon):5.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue