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Chemical ID: 4551658
Chemical ID:
4551658
Name [?]:
None
SMILES [?]:
CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)c4ccccc4)O2
InChi [?]:
InChI=1/C21H25NO4/c1-13(2)11-25-20(24)17-16-9-10-21(26-16)12-22(19(23)18(17)21)14(3)15-7-5-4-6-8-15/h4-10,13-14,16-18H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,19,23,22,24,21,25,10,11,4,17,2,18,20,9,8,13,14,6,12,16,15,7,5,26/E:(1,2)(5,6)(7,8)/rA:26cCCCCOCOCCCCCCCONCCCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s11;s8s12;s13;d14;s14;s12s16;s16;s18;s18;s20;d21;s22;d23;d20s24;s9s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 10.2822 |
Area: | 569.953 |
Solvation: | -3.96659 |
Coulombic: | -44.7862 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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