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Chemical ID: 6042577
Chemical ID:
6042577
Name [?]:
N-isobutyl-5-[(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C22H28N2O4/c1-14(2)11-23-21(26)19-9-7-16(28-19)12-24-17-10-15(22(3,4)5)6-8-18(17)27-13-20(24)25/h6-10,14H,11-13H2,1-5H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,26,27,28,18,10,19,9,16,4,13,22,2,17,11,15,20,8,23,6,25,5,14,24,7,21,12/E:(1,2)(3,4,5)/rA:28nCCCCNCOCCCCOCNCCCCCCOCCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s8s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;s17;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1256 |
Area: | 608.527 |
Solvation: | -4.08758 |
Coulombic: | -56.654 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.51 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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