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Chemical ID: 5973086
Chemical ID:
5973086
Name [?]:
2-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-pentyl-acetamide
SMILES [?]:
CCCCCNC(=O)CN1c2cc(ccc2OCC1=O)C(=O)C
InChi [?]:
InChI=1/C17H22N2O4/c1-3-4-5-8-18-16(21)10-19-14-9-13(12(2)20)6-7-15(14)23-11-17(19)22/h6-7,9H,3-5,8,10-11H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,4,14,15,5,12,9,18,21,13,11,16,7,19,6,10,22,8,20,17/rA:23nCCCCCNCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;s4;s5;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: | 0 |
ZAP Information [?]
Total: | 8.81044 |
Area: | 543.867 |
Solvation: | -4.78623 |
Coulombic: | -52.6304 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.73 |
LogP (Chemaxon): | 0.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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