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Chemical ID: 4809395
Chemical ID:
4809395
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C34c5ccccc5N(C4=O)C)CCCOC
InChi [?]:
InChI=1/C24H22N2O5/c1-14-9-10-18-15(13-14)20(27)19-21(31-18)22(28)26(11-6-12-30-3)24(19)16-7-4-5-8-17(16)25(2)23(24)29/h4-5,7-10,13H,6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,31,19,20,28,18,21,3,4,27,29,7,2,6,17,22,5,10,8,11,13,24,16,23,15,9,14,25,30,12/rA:31cCCCCCCCCOCCOCONCCCCCCCNCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s23;s15;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.94237 |
Area: | 616.262 |
Solvation: | -5.46418 |
Coulombic: | -58.9751 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 418.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.14 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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