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Chemical ID: 6042028
Chemical ID:
6042028
Name [?]:
N-isobutyl-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCC(C)C
InChi [?]:
InChI=1/C15H20N2O3/c1-10(2)7-16-14(18)8-17-12-6-11(3)4-5-13(12)20-9-15(17)19/h4-6,10H,7-9H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:19,20,1,3,4,7,17,13,11,18,2,6,5,14,9,16,8,15,10,12/E:(1,2)/rA:20nCCCCCCCNCOCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8575 |
Area: | 478.163 |
Solvation: | -4.09657 |
Coulombic: | -45.4581 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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