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Chemical ID: 7729500
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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