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Chemical ID: 4569787
Chemical ID:
4569787
Name [?]:
None
SMILES [?]:
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)CCc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C26H29N5O5/c1-34-14-6-11-28-25(32)18-16-19-24(29-22-7-4-5-12-30(22)26(19)33)31(23(18)27)13-10-17-8-9-20(35-2)21(15-17)36-3/h4-5,7-9,12,15-16,27H,6,10-11,13-14H2,1-3H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,36,34,16,17,4,15,28,29,26,5,18,25,3,32,10,27,9,11,30,31,14,23,12,7,20,24,6,13,19,22,8,21,2,35,33/rA:36nCOCCCNCOCCCCNCCCCCNCONCNCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;d17;s14s18;s11s19;d20;s12;s9s22;w23;s22;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N5O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7213 |
Area: | 750.295 |
Solvation: | -8.03605 |
Coulombic: | -83.4936 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 491.539 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.48 |
LogP (Chemaxon): | 2.52 |
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.
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