Chemical ID: 5567110

COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4ccccc4oc3=O
Chemical ID:
5567110
Name [?]:
3-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylchromen-2-one
SMILES [?]:
COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4ccccc4oc3=O
InChi [?]:
InChI=1/C21H20N2O4/c1-26-17-8-6-16(7-9-17)22-10-12-23(13-11-22)20(24)18-14-15-4-2-3-5-19(15)27-21(18)25/h2-9,14H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,20,23,5,7,4,8,10,14,11,13,18,19,6,3,17,24,15,26,9,12,16,27,2,25/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCOCCCCCCNCCNCCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s12;d15;s15;d17;s18;s19;d20;s21;d22;d19s23;s24;s17s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.62375
Area:563.202
Solvation:-5.45628
Coulombic:-49.024
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.395
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.96
LogP (Chemaxon):2.96

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