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Chemical ID: 5973075
Chemical ID:
5973075
Name [?]:
2-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(1-piperidyl)ethyl]acetamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCN3CCCCC3
InChi [?]:
InChI=1/C19H25N3O4/c1-14(23)15-5-6-17-16(11-15)22(19(25)13-26-17)12-18(24)20-7-10-21-8-3-2-4-9-21/h5-6,11H,2-4,7-10,12-13H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,5,6,19,22,26,20,9,15,13,2,4,8,7,16,11,18,21,10,3,17,12,14/E:(3,4)(8,9)/rA:26nCCOCCCCCCNCOCOCCONCCNCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s16;s18;s19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91517 |
Area: | 585.799 |
Solvation: | -5.72981 |
Coulombic: | -56.1687 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.52 |
LogP (Chemaxon): | -0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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