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Chemical ID: 4894873
Chemical ID:
4894873
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC(=O)N)Cc5ccco5
InChi [?]:
InChI=1/C25H20N2O6/c1-14-4-9-19-18(11-14)23(29)21-22(15-5-7-16(8-6-15)32-13-20(26)28)27(25(30)24(21)33-19)12-17-3-2-10-31-17/h2-11,22H,12-13H2,1H3,(H2,26,28)
InChi Info:
AuxInfo=1/1/N:1,31,30,3,18,22,19,21,4,32,7,28,24,2,17,20,29,6,5,25,10,16,8,11,13,27,15,26,9,14,33,23,12/E:(5,6)(7,8)/rA:33cCCCCCCCCOCCOCONCCCCCCCOCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s25;s15;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.59027 |
Area: | 664.972 |
Solvation: | -8.03402 |
Coulombic: | -72.4868 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 444.436 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.83 |
LogP (Chemaxon): | 2.27 |
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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