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Chemical ID: 5480799
Chemical ID:
5480799
Name [?]:
None
SMILES [?]:
CC(C(=O)NCc1ccc(cc1)OC)OC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
InChi [?]:
InChI=1/C23H23N3O5/c1-14(21(27)24-13-15-5-8-17(30-2)9-6-15)31-23(29)16-7-10-18-19(12-16)25-20-4-3-11-26(20)22(18)28/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,14,30,31,8,12,19,9,11,20,29,23,6,2,7,18,10,21,22,25,3,27,16,5,24,26,4,28,17,13,15/E:(5,6)(8,9)/rA:31cCCCONCCCCCCCOCOCOCCCCCCNCNCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s2;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;d24;s25;s21s26;d27;s26;s29;s25s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2713 |
Area: | 665.006 |
Solvation: | -5.35381 |
Coulombic: | -70.0705 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 421.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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