Chemical ID: 7080462

CCc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
Chemical ID:
7080462
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C23H23NO4/c1-3-15-9-11-16(12-10-15)20-19-21(25)17-7-4-5-8-18(17)28-22(19)23(26)24(20)13-6-14-27-2/h4-5,7-12,20H,3,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,15,16,25,14,17,4,8,5,7,24,26,3,6,13,18,10,9,11,20,21,23,12,22,27,19/E:(9,10)(11,12)/rA:28cCCCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO4
All Atoms:51
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.5671
Area:605.868
Solvation:-4.57965
Coulombic:-44.0333
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.433
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):3.41

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