Chemical ID: 4860686

c1ccc(cc1)CC2CCN(CC2)CN3c4ccccc4C5(C3=O)OCCCO5
Chemical ID:
4860686
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)CN3c4ccccc4C5(C3=O)OCCCO5
InChi [?]:
InChI=1/C24H28N2O3/c27-23-24(28-15-6-16-29-24)21-9-4-5-10-22(21)26(23)18-25-13-11-20(12-14-25)17-19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,18,27,3,5,20,17,9,13,10,12,26,28,7,14,4,8,21,16,23,22,11,15,24,25,29/E:(2,3)(7,8)(11,12)(13,14)(15,16)(28,29)/rA:29nCCCCCCCCCCNCCCNCCCCCCCCOOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s22;s25;s26;s27;s22s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2599
Area:592.741
Solvation:-3.55864
Coulombic:-46.4874
Bond Count [?]
All:33
Single:26
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:392.491
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.45
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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