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Chemical ID: 3951290
Chemical ID:
3951290
Name [?]:
N-isopropyl-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)NC(C)C
InChi [?]:
InChI=1/C14H18N2O3/c1-9(2)15-13(17)7-16-11-6-10(3)4-5-12(11)19-8-14(16)18/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:18,19,1,3,4,7,13,11,17,2,6,5,14,9,16,8,15,10,12/E:(1,2)/rA:19nCCCCCCCNCOCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21107 |
Area: | 451.367 |
Solvation: | -4.0731 |
Coulombic: | -44.8933 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.29 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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