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Chemical ID: 6042788
Chemical ID:
6042788
Name [?]:
5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-pentyl-furan-2-carboxamide
SMILES [?]:
CCCCCNC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C
InChi [?]:
InChI=1/C20H24N2O4/c1-3-4-5-10-21-20(24)18-9-7-15(26-18)12-22-16-11-14(2)6-8-17(16)25-13-19(22)23/h6-9,11H,3-5,10,12-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,4,19,11,20,10,5,17,14,23,18,12,16,21,9,24,7,6,15,25,8,22,13/rA:26nCCCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6988 |
Area: | 593.435 |
Solvation: | -4.13713 |
Coulombic: | -56.0761 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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