Chemical ID: 4563217

c1cc2n(c(=O)c1)CC3CC2CN(C3)C(=O)c4ccc5c(c4)OCCOCCOCCO5
Chemical ID:
4563217
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)C(=O)c4ccc5c(c4)OCCOCCOCCO5
InChi [?]:
InChI=1/C24H28N2O6/c27-23-3-1-2-20-19-12-17(15-26(20)23)14-25(16-19)24(28)18-4-5-21-22(13-18)32-11-9-30-7-6-29-8-10-31-21/h1-5,13,17,19H,6-12,14-16H2
InChi Info:
AuxInfo=1/0/N:1,2,7,18,19,28,27,30,25,31,24,10,22,14,8,12,9,17,11,3,20,21,5,15,13,4,6,16,29,26,32,23/rA:32cCCCNCOCCCCCCNCCOCCCCCCOCCOCCOCCO/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;s26;s27;s28;s29;s30;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:8.55947
Area:592.073
Solvation:-6.24235
Coulombic:-65.9293
Bond Count [?]
All:36
Single:29
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:440.489
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:0.73
LogP (Chemaxon):0.49

Name Annotations

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Descriptor Annotations

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