Chemical ID: 4798507

CCc1ccc2c(c1)c(cc(=O)o2)CN3CCN(CC3)c4ccc(cc4)OC
Chemical ID:
4798507
Name [?]:
6-ethyl-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
SMILES [?]:
CCc1ccc2c(c1)c(cc(=O)o2)CN3CCN(CC3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H26N2O3/c1-3-17-4-9-22-21(14-17)18(15-23(26)28-22)16-24-10-12-25(13-11-24)19-5-7-20(27-2)8-6-19/h4-9,14-15H,3,10-13,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,4,22,26,23,25,5,16,20,17,19,8,10,14,3,9,21,24,7,6,11,15,18,12,27,13/E:(5,6)(7,8)(10,11)(12,13)/rA:28nCCCCCCCCCCCOOCNCCNCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s6s11;s9;s14;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3717
Area:599.418
Solvation:-4.61378
Coulombic:-37.8631
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.464
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):4.57

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Experimental Annotations

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Descriptor Annotations

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