Chemical ID: 7729500

CC1CN(CC(O1)C)C(=O)Cn2cnc3c(c2=O)nnn3c4ccc(c(c4)OC)OC
Chemical ID:
7729500
Name [?]:
None
SMILES [?]:
CC1CN(CC(O1)C)C(=O)Cn2cnc3c(c2=O)nnn3c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C20H24N6O5/c1-12-8-24(9-13(2)31-12)17(27)10-25-11-21-19-18(20(25)28)22-23-26(19)14-5-6-15(29-3)16(7-14)30-4/h5-7,11-13H,8-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,31,29,23,24,27,3,5,11,13,2,6,22,25,26,9,16,15,17,14,19,20,4,12,21,10,18,30,28,7/E:(1,2)(8,9)(12,13)/rA:31cCCCNCCOCCOCNCNCCCONNNCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N6O5
All Atoms:55
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:7.96376
Area:647.593
Solvation:-8.22606
Coulombic:-64.2972
Bond Count [?]
All:34
Single:26
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.14
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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