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Chemical ID: 5973348
Chemical ID:
5973348
Name [?]:
N-isobutyl-4-[(8-methyl-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-2-yl)methyl]benzamide
SMILES [?]:
Cc1ccc2c(c1)OCC(=O)N2Cc3ccc(cc3)C(=O)NCC(C)C
InChi [?]:
InChI=1/C21H24N2O3/c1-14(2)11-22-21(25)17-7-5-16(6-8-17)12-23-18-9-4-15(3)10-19(18)26-13-20(23)24/h4-10,14H,11-13H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,3,15,19,16,18,4,7,23,13,9,24,2,14,17,5,6,10,20,22,12,11,21,8/E:(1,2)(5,6)(7,8)/rA:26nCCCCCCCOCCONCCCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.977 |
Area: | 579.038 |
Solvation: | -3.499 |
Coulombic: | -48.7002 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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