Chemical ID: 4931681

Cc1cc(ncn1)C23C(C4C(O2)COC(O4)(C)C)OC(O3)(C)C
Chemical ID:
4931681
Name [?]:
None
SMILES [?]:
Cc1cc(ncn1)C23C(C4C(O2)COC(O4)(C)C)OC(O3)(C)C
InChi [?]:
InChI=1/C16H22N2O5/c1-9-6-11(18-8-17-9)16-13(22-15(4,5)23-16)12-10(20-16)7-19-14(2,3)21-12/h6,8,10,12-13H,7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,18,22,23,3,13,6,2,11,4,10,9,15,20,8,7,5,14,12,16,19,21/E:(2,3)(4,5)/rA:23cCCCCNCNCCCCOCOCOCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s4;s8;s9;s10;s8s11;s11;s13;s14;s10s15;s15;s15;s9;s19;s8s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:4
ZAP Information [?]
Total:8.07937
Area:492.247
Solvation:-4.2268
Coulombic:-57.4457
Bond Count [?]
All:26
Single:23
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:322.356
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.52
LogP (Chemaxon):2.16

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Descriptor Annotations

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