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Chemical ID: 4896106
Chemical ID:
4896106
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCC(=O)N
InChi [?]:
InChI=1/C25H26N2O6/c1-15(2)31-13-5-12-27-22(16-8-10-17(11-9-16)32-14-20(26)28)21-23(29)18-6-3-4-7-19(18)33-24(21)25(27)30/h3-4,6-11,15,22H,5,12-14H2,1-2H3,(H2,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,6,14,17,24,28,25,27,7,5,30,2,23,26,13,18,31,10,9,11,20,21,33,8,32,12,22,4,29,19/E:(1,2)(8,9)(10,11)/rA:33cCCCOCCCNCCCOCCCCCCOCCOCCCCCCOCCON/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.3626 |
Area: | 690.443 |
Solvation: | -7.89847 |
Coulombic: | -74.3626 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 450.484 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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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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