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Chemical ID: 5585146
Chemical ID:
5585146
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)nc5n(c2=O)CCCCC5
InChi [?]:
InChI=1/C24H23N3O6/c28-22(25-16-6-8-19-20(13-16)32-11-10-31-19)14-33-24(30)15-5-7-17-18(12-15)26-21-4-2-1-3-9-27(21)23(17)29/h5-8,12-13H,1-4,9-11,14H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:31,32,30,33,1,15,2,16,29,22,21,5,19,10,6,14,3,4,17,18,25,11,27,7,13,24,26,12,28,8,23,20,9/rA:33nCCCCCCCOOCCONCCCCCCOCCONCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s17s22;s4;d24;s25;s3s26;d27;s26;s29;s30;s31;s25s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9323 |
Area: | 667.333 |
Solvation: | -5.75104 |
Coulombic: | -77.3366 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 449.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.06 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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