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Chemical ID: 5973097
Chemical ID:
5973097
Name [?]:
8-acetyl-5-(morpholinocarbonylmethyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCOCC3
InChi [?]:
InChI=1/C16H18N2O5/c1-11(19)12-2-3-14-13(8-12)18(16(21)10-23-14)9-15(20)17-4-6-22-7-5-17/h2-3,8H,4-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,19,23,20,22,9,15,13,2,4,8,7,16,11,18,10,3,17,12,21,14/E:(4,5)(6,7)/rA:23nCCOCCCCCCNCOCOCCONCCOCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.94415 |
Area: | 503.891 |
Solvation: | -6.65312 |
Coulombic: | -54.0474 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.325 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | -0.45 |
LogP (Chemaxon): | -1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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