Chemical ID: 4551658

CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)c4ccccc4)O2
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

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Descriptor Annotations

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