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Chemical ID: 5973087
Chemical ID:
5973087
Name [?]:
2-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(1,2-dimethylpropyl)acetamide
SMILES [?]:
CC(C)C(C)NC(=O)CN1c2cc(ccc2OCC1=O)C(=O)C
InChi [?]:
InChI=1/C17H22N2O4/c1-10(2)11(3)18-16(21)8-19-14-7-13(12(4)20)5-6-15(14)23-9-17(19)22/h5-7,10-11H,8-9H2,1-4H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,23,14,15,12,9,18,2,4,21,13,11,16,7,19,6,10,22,8,20,17/E:(1,2)/rA:23cCCCCCNCOCNCCCCCCOCCOCOC/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.2107 |
Area: | 516.34 |
Solvation: | -4.6978 |
Coulombic: | -52.468 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.35 |
LogP (Chemaxon): | 0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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