Chemical ID: 7219082

CC(C)(C)C1CCc2c(c(no2)C(=O)Nc3ccc4c(c3)OCCO4)C1
Chemical ID:
7219082
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-5-tert-butyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
SMILES [?]:
CC(C)(C)C1CCc2c(c(no2)C(=O)Nc3ccc4c(c3)OCCO4)C1
InChi [?]:
InChI=1/C20H24N2O4/c1-20(2,3)12-4-6-15-14(10-12)18(22-26-15)19(23)21-13-5-7-16-17(11-13)25-9-8-24-16/h5,7,11-12H,4,6,8-10H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,17,7,18,24,23,26,21,5,16,9,8,19,20,10,13,2,15,11,14,25,22,12/E:(1,2,3)/rA:26cCCCCCCCCCCNOCONCCCCCCOCCOC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2O4
All Atoms:50
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.1659
Area:553.497
Solvation:-3.67156
Coulombic:-42.9221
Bond Count [?]
All:29
Single:23
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.416
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):3.66

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Descriptor Annotations

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