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Chemical ID: 5283920
Chemical ID:
5283920
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(nn(c3O)c4ccccc4)NC5=C2C(=O)CC(C5)(C)C
InChi [?]:
InChI=1/C26H27N3O4/c1-4-33-20-12-15(10-11-18(20)30)21-22-17(13-26(2,3)14-19(22)31)27-24-23(21)25(32)29(28-24)16-8-6-5-7-9-16/h5-12,21,30,32H,4,13-14H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,32,33,2,21,20,22,19,23,7,8,5,31,29,6,18,25,9,27,4,11,26,12,13,16,30,24,14,15,10,28,17,3/E:(2,3)(6,7)(8,9)/rA:33cCCOCCCCCCOCCCNNCOCCCCCCNCCCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s14;d12s15;s16;s15;s18;d19;s20;d21;d18s22;s13;s24;s11d25;s26;d27;s27;s29;s25s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27N3O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0817 |
Area: | 632.494 |
Solvation: | -5.73066 |
Coulombic: | -65.5944 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 445.51 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.25 |
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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