Chemical ID: 6041918

COc1ccc(cc1)N2CCN(CC2)C(=O)CCCN3c4ccccc4OCC3=O
Chemical ID:
6041918
Name [?]:
10-[3-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylpropyl]-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
COc1ccc(cc1)N2CCN(CC2)C(=O)CCCN3c4ccccc4OCC3=O
InChi [?]:
InChI=1/C23H27N3O4/c1-29-19-10-8-18(9-11-19)24-13-15-25(16-14-24)22(27)7-4-12-26-20-5-2-3-6-21(20)30-17-23(26)28/h2-3,5-6,8-11H,4,7,12-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,18,22,25,17,5,7,4,8,19,10,14,11,13,28,6,3,21,26,15,29,9,12,20,16,30,2,27/E:(8,9)(10,11)(13,14)(15,16)/rA:30nCOCCCCCCNCCNCCCOCCCNCCCCCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;s27;s20s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.9557
Area:642.256
Solvation:-6.1007
Coulombic:-53.5574
Bond Count [?]
All:33
Single:25
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.478
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.35
LogP (Chemaxon):1.9

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