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Chemical ID: 5973136
Chemical ID:
5973136
Name [?]:
8-acetyl-5-[3-(1-piperidylcarbonyl)propyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCCC3
InChi [?]:
InChI=1/C19H24N2O4/c1-14(22)15-7-8-17-16(12-15)21(19(24)13-25-17)11-5-6-18(23)20-9-3-2-4-10-20/h7-8,12H,2-6,9-11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,16,17,5,6,21,25,15,9,13,2,4,8,7,18,11,20,10,3,19,12,14/E:(3,4)(9,10)/rA:25nCCOCCCCCCNCOCOCCCCONCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10874 |
Area: | 566.575 |
Solvation: | -5.05564 |
Coulombic: | -46.4623 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 344.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.33 |
LogP (Chemaxon): | 0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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