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Chemical ID: 6042089
Chemical ID:
6042089
Name [?]:
5-[3-(2,6-dimethylmorpholin-4-yl)carbonylpropyl]-8-methyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CC(OC(C3)C)C
InChi [?]:
InChI=1/C19H26N2O4/c1-13-6-7-17-16(9-13)21(19(23)12-24-17)8-4-5-18(22)20-10-14(2)25-15(3)11-20/h6-7,9,14-15H,4-5,8,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,14,15,3,4,13,7,23,19,11,2,22,20,6,5,16,9,18,8,17,10,12,21/E:(2,3)(10,11)(14,15)/rA:25cCCCCCCCNCOCOCCCCONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.11275 |
Area: | 570.73 |
Solvation: | -5.15551 |
Coulombic: | -47.9764 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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